 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer15_STD_M11_def2SVPD.in
 Output=26_junionone_conformer15_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-11335.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11337.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=26_junionone_conformer15_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:07:35 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer15_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.529110000000      0.738170000000      1.520718000000
  C                                                -2.026745000000      0.339638000000      0.135970000000
  C                                                -0.893023000000     -0.304125000000     -0.756918000000
  C                                                 0.504969000000      0.154007000000     -0.577709000000
  C                                                 1.520990000000     -0.584013000000     -0.125283000000
  C                                                 2.904373000000     -0.104314000000      0.063302000000
  O                                                 3.757841000000     -0.865833000000      0.478807000000
  C                                                -2.812629000000      1.468108000000     -0.506868000000
  C                                                -2.698185000000     -1.062721000000      0.151340000000
  C                                                -1.361985000000     -1.699049000000     -0.295661000000
  C                                                 3.243168000000      1.336395000000     -0.261310000000
  H                                                -3.468386000000     -1.147602000000     -0.616388000000
  H                                                -3.114217000000     -1.391151000000      1.103934000000
  H                                                -1.177274000000     -0.145648000000     -1.802742000000
  H                                                -0.785318000000     -2.067458000000      0.551823000000
  H                                                -1.402565000000     -2.481159000000     -1.051891000000
  H                                                -0.900793000000      1.630410000000      1.475839000000
  H                                                -0.942765000000     -0.055057000000      1.986408000000
  H                                                -2.377267000000      0.957410000000      2.173373000000
  H                                                -3.180409000000      1.181340000000     -1.494152000000
  H                                                -2.194867000000      2.362917000000     -0.622846000000
  H                                                -3.675004000000      1.740830000000      0.107109000000
  H                                                 0.686365000000      1.193470000000     -0.838045000000
  H                                                 1.379098000000     -1.625731000000      0.138442000000
  H                                                 3.041928000000      1.555618000000     -1.311973000000
  H                                                 4.296861000000      1.503639000000     -0.052940000000
  H                                                 2.640948000000      2.022263000000      0.338103000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524466   0.000000
     3  C    2.584301   1.580192   0.000000
     4  C    2.980289   2.636925   1.482020   0.000000
     5  C    3.709528   3.675297   2.510928   1.334789   0.000000
     6  C    4.742321   4.951596   3.890103   2.496951   1.476287
     7  O    5.622300   5.918795   4.844901   3.568960   2.334063
     8  C    2.508253   1.517992   2.624542   3.569081   4.810100
     9  C    2.546594   1.554889   2.158474   3.503161   4.255246
    10  C    3.044208   2.187340   1.542237   2.645541   3.095784
    11  C    5.129146   5.378042   4.477165   2.999314   2.583093
    12  H    3.447339   2.203691   2.713613   4.181295   5.045066
    13  H    2.687058   2.261676   3.094850   4.279479   4.862879
    14  H    3.456922   2.171568   1.095291   2.102484   3.207283
    15  H    3.059989   2.740107   2.198578   2.806348   2.824560
    16  H    4.122913   3.123701   2.255243   3.287497   3.606236
    17  H    1.092194   2.174652   2.954266   2.893612   3.651341
    18  H    1.090815   2.180577   2.755058   2.952006   3.287723
    19  H    1.092426   2.157665   3.518672   4.064627   4.780817
    20  H    3.465924   2.167187   2.825288   3.934119   5.205135
    21  H    2.770903   2.167424   2.970839   3.488615   4.768601
    22  H    2.758347   2.163546   3.559186   4.523180   5.697127
    23  H    3.267934   3.006443   2.178036   1.086813   2.089037
    24  H    3.994545   3.932232   2.776841   2.108184   1.083910
    25  H    5.439370   5.409861   4.387547   2.989953   2.880886
    26  H    6.083114   6.432618   5.540622   4.058982   3.474044
    27  H    4.520714   4.965827   4.370366   2.981862   2.874319
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216948   0.000000
     8  C    5.956653   7.042010   0.000000
     9  C    5.684624   6.467323   2.617524   0.000000
    10  C    4.568790   5.244680   3.489966   1.546012   0.000000
    11  C    1.515189   2.379594   6.062205   6.420725   5.515663
    12  H    6.493265   7.314178   2.698880   1.090789   2.200883
    13  H    6.241978   6.920399   3.295603   1.090130   2.263622
    14  H    4.488170   5.484477   2.637780   2.640574   2.172203
    15  H    4.207898   4.699950   4.210825   2.197486   1.089265
    16  H    5.044082   5.619796   4.228716   2.266796   1.088681
    17  H    4.414048   5.378492   2.759091   3.498267   3.799501
    18  H    4.301306   5.002591   3.468840   2.732098   2.843641
    19  H    5.785791   6.620825   2.762977   2.876202   3.766125
    20  H    6.411173   7.498186   1.091892   2.824180   3.611051
    21  H    5.706161   6.860991   1.093510   3.547913   4.159364
    22  H    6.833350   7.885432   1.093177   2.969180   4.164739
    23  H    2.723275   3.925404   3.525346   4.186223   3.585608
    24  H    2.155648   2.520260   5.249651   4.115991   2.776213
    25  H    2.160018   3.095618   5.910304   6.476564   5.569578
    26  H    2.130269   2.487508   7.124055   7.453764   6.506817
    27  H    2.160379   3.099733   5.546401   6.169145   5.502117
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.165283   0.000000
    13  H    7.051223   1.773206   0.000000
    14  H    4.910476   2.767768   3.708341   0.000000
    15  H    5.336300   3.067524   2.487165   3.064467   0.000000
    16  H    6.064781   2.497129   2.960651   2.463563   1.767496
    17  H    4.502948   4.322881   3.763959   3.738973   3.813315
    18  H    4.950799   3.787739   2.697983   3.797481   2.476405
    19  H    6.136823   3.661200   2.683754   4.297233   3.783326
    20  H    6.542651   2.505468   3.656794   2.422535   4.525170
    21  H    5.545871   3.734386   4.233202   2.953057   4.795300
    22  H    6.939770   2.984825   3.334284   3.666740   4.801157
    23  H    2.624937   4.774066   4.989586   2.489383   3.838129
    24  H    3.522605   4.929146   4.601856   3.534668   2.247377
    25  H    1.091993   7.083461   7.240040   4.575678   5.590011
    26  H    1.087041   8.224695   8.040040   5.978972   6.240754
    27  H    1.091961   6.948601   6.734970   4.884862   5.339550
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.852442   0.000000
    18  H    3.915182   1.761602   0.000000
    19  H    4.814159   1.766199   1.765741   0.000000
    20  H    4.095146   3.770830   4.318568   3.761106   0.000000
    21  H    4.927159   2.572095   3.771281   3.134894   1.768217
    22  H    4.932793   3.095458   3.771221   2.562677   1.766831
    23  H    4.232287   2.839726   3.491478   4.302349   3.922061
    24  H    3.144249   4.193923   3.357535   4.992378   5.597688
    25  H    6.009720   4.829341   5.417690   6.470948   6.236245
    26  H    7.025665   5.419303   5.834565   7.056828   7.621715
    27  H    6.209903   3.740578   4.458157   5.448358   6.160561
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.763698   0.000000
    23  H    3.116956   4.496049   0.000000
    24  H    5.409445   6.072780   3.062891   0.000000
    25  H    5.343281   6.867698   2.429905   3.871652   0.000000
    26  H    6.573103   7.976999   3.707867   4.282864   1.778405
    27  H    4.942123   6.326438   2.427059   3.865228   1.761049
                   26         27
    26  H    0.000000
    27  H    1.778745   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1821229           0.5349648           0.4880821
 Leave Link  202 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.8258063864 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 13 11:07:38 2021, MaxMem=  5637144576 cpu:               9.7 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.58D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 11:07:39 2021, MaxMem=  5637144576 cpu:               5.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:07:40 2021, MaxMem=  5637144576 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer15_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:07:41 2021, MaxMem=  5637144576 cpu:               4.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636859583 LenY=  5636720013
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.239409242168    
 DIIS: error= 3.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.239409242168     IErMin= 1 ErrMin= 3.45D-03
 ErrMax= 3.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-02 BMatP= 1.67D-02
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 GapD=    0.380 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.30D-03 MaxDP=2.96D-01              OVMax= 2.39D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.03D-03    CP:  1.10D+00
 E= -465.257671393449     Delta-E=       -0.018262151282 Rises=F Damp=F
 DIIS: error= 1.47D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.257671393449     IErMin= 2 ErrMin= 1.47D-03
 ErrMax= 1.47D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.64D-04 BMatP= 1.67D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.47D-02
 Coeff-Com: -0.293D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.289D-01 0.103D+01
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=1.52D-03 MaxDP=1.03D-01 DE=-1.83D-02 OVMax= 1.13D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.11D-04    CP:  1.13D+00  1.15D+00
 E= -465.258194828016     Delta-E=       -0.000523434567 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.258194828016     IErMin= 3 ErrMin= 1.17D-03
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.82D-04 BMatP= 7.64D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02
 Coeff-Com: -0.657D-01 0.542D+00 0.524D+00
 Coeff-En:   0.000D+00 0.149D+00 0.851D+00
 Coeff:     -0.649D-01 0.537D+00 0.528D+00
 Gap=     0.385 Goal=   None    Shift=    0.000
 RMSDP=2.01D-04 MaxDP=1.15D-02 DE=-5.23D-04 OVMax= 6.42D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.46D-04    CP:  1.13D+00  1.17D+00  1.04D+00
 E= -465.258732900940     Delta-E=       -0.000538072924 Rises=F Damp=F
 DIIS: error= 2.31D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.258732900940     IErMin= 4 ErrMin= 2.31D-04
 ErrMax= 2.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-05 BMatP= 7.64D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.31D-03
 Coeff-Com: -0.151D-01 0.393D-01 0.162D+00 0.814D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.151D-01 0.392D-01 0.161D+00 0.815D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=8.20D-05 MaxDP=3.65D-03 DE=-5.38D-04 OVMax= 1.62D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.14D-05    CP:  1.13D+00  1.17D+00  1.08D+00  1.05D+00
 E= -465.258760956064     Delta-E=       -0.000028055124 Rises=F Damp=F
 DIIS: error= 6.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.258760956064     IErMin= 5 ErrMin= 6.03D-05
 ErrMax= 6.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-06 BMatP= 2.81D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.302D-02-0.476D-01-0.166D-01 0.230D+00 0.832D+00
 Coeff:      0.302D-02-0.476D-01-0.166D-01 0.230D+00 0.832D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=3.15D-05 MaxDP=1.63D-03 DE=-2.81D-05 OVMax= 5.59D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.12D-05    CP:  1.13D+00  1.17D+00  1.11D+00  1.10D+00  1.02D+00
 E= -465.258764071507     Delta-E=       -0.000003115444 Rises=F Damp=F
 DIIS: error= 1.48D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.258764071507     IErMin= 6 ErrMin= 1.48D-05
 ErrMax= 1.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.76D-08 BMatP= 2.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-02-0.109D-01-0.101D-01 0.770D-02 0.150D+00 0.862D+00
 Coeff:      0.126D-02-0.109D-01-0.101D-01 0.770D-02 0.150D+00 0.862D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=6.84D-06 MaxDP=2.98D-04 DE=-3.12D-06 OVMax= 2.91D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.35D-06    CP:  1.13D+00  1.17D+00  1.11D+00  1.11D+00  1.05D+00
                    CP:  1.08D+00
 E= -465.258764264668     Delta-E=       -0.000000193161 Rises=F Damp=F
 DIIS: error= 5.45D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.258764264668     IErMin= 7 ErrMin= 5.45D-06
 ErrMax= 5.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-08 BMatP= 9.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-03 0.149D-02-0.166D-02-0.273D-01-0.523D-01 0.374D+00
 Coeff-Com:  0.706D+00
 Coeff:      0.129D-03 0.149D-02-0.166D-02-0.273D-01-0.523D-01 0.374D+00
 Coeff:      0.706D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=3.03D-06 MaxDP=1.38D-04 DE=-1.93D-07 OVMax= 7.95D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.37D-06    CP:  1.13D+00  1.17D+00  1.11D+00  1.11D+00  1.06D+00
                    CP:  1.16D+00  1.05D+00
 E= -465.258764320744     Delta-E=       -0.000000056076 Rises=F Damp=F
 DIIS: error= 1.82D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.258764320744     IErMin= 8 ErrMin= 1.82D-06
 ErrMax= 1.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-09 BMatP= 3.91D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.163D-03 0.198D-02 0.159D-02-0.678D-02-0.356D-01-0.499D-01
 Coeff-Com:  0.751D-01 0.101D+01
 Coeff:     -0.163D-03 0.198D-02 0.159D-02-0.678D-02-0.356D-01-0.499D-01
 Coeff:      0.751D-01 0.101D+01
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=1.31D-06 MaxDP=8.56D-05 DE=-5.61D-08 OVMax= 6.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.47D-07    CP:  1.13D+00  1.17D+00  1.11D+00  1.11D+00  1.06D+00
                    CP:  1.18D+00  1.15D+00  1.27D+00
 E= -465.258764327450     Delta-E=       -0.000000006706 Rises=F Damp=F
 DIIS: error= 4.84D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.258764327450     IErMin= 9 ErrMin= 4.84D-07
 ErrMax= 4.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.28D-10 BMatP= 1.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.445D-04 0.290D-03 0.579D-03 0.682D-03-0.299D-02-0.352D-01
 Coeff-Com: -0.641D-01 0.235D+00 0.866D+00
 Coeff:     -0.445D-04 0.290D-03 0.579D-03 0.682D-03-0.299D-02-0.352D-01
 Coeff:     -0.641D-01 0.235D+00 0.866D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=4.37D-07 MaxDP=2.46D-05 DE=-6.71D-09 OVMax= 1.38D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.34D-07    CP:  1.13D+00  1.17D+00  1.11D+00  1.11D+00  1.06D+00
                    CP:  1.19D+00  1.17D+00  1.39D+00  1.14D+00
 E= -465.258764328085     Delta-E=       -0.000000000635 Rises=F Damp=F
 DIIS: error= 2.08D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.258764328085     IErMin=10 ErrMin= 2.08D-07
 ErrMax= 2.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-11 BMatP= 3.28D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.121D-04-0.229D-03-0.536D-04 0.109D-02 0.463D-02 0.162D-02
 Coeff-Com: -0.358D-01-0.768D-01 0.182D+00 0.923D+00
 Coeff:      0.121D-04-0.229D-03-0.536D-04 0.109D-02 0.463D-02 0.162D-02
 Coeff:     -0.358D-01-0.768D-01 0.182D+00 0.923D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=1.92D-07 MaxDP=1.43D-05 DE=-6.35D-10 OVMax= 5.51D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.60D-08    CP:  1.13D+00  1.17D+00  1.11D+00  1.11D+00  1.06D+00
                    CP:  1.18D+00  1.17D+00  1.43D+00  1.24D+00  1.24D+00
 E= -465.258764328176     Delta-E=       -0.000000000091 Rises=F Damp=F
 DIIS: error= 5.73D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.258764328176     IErMin=11 ErrMin= 5.73D-08
 ErrMax= 5.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-12 BMatP= 4.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.758D-05-0.828D-04-0.639D-04 0.168D-03 0.141D-02 0.463D-02
 Coeff-Com: -0.465D-02-0.380D-01-0.617D-01 0.218D+00 0.880D+00
 Coeff:      0.758D-05-0.828D-04-0.639D-04 0.168D-03 0.141D-02 0.463D-02
 Coeff:     -0.465D-02-0.380D-01-0.617D-01 0.218D+00 0.880D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=6.08D-08 MaxDP=3.99D-06 DE=-9.09D-11 OVMax= 1.38D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.54D-08    CP:  1.13D+00  1.17D+00  1.11D+00  1.11D+00  1.06D+00
                    CP:  1.18D+00  1.17D+00  1.44D+00  1.27D+00  1.36D+00
                    CP:  1.19D+00
 E= -465.258764328172     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 1.80D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.258764328176     IErMin=12 ErrMin= 1.80D-08
 ErrMax= 1.80D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.46D-13 BMatP= 5.16D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.198D-06 0.133D-04-0.188D-05-0.114D-03-0.319D-03 0.828D-03
 Coeff-Com:  0.286D-02 0.524D-02-0.367D-01-0.725D-01 0.170D+00 0.930D+00
 Coeff:     -0.198D-06 0.133D-04-0.188D-05-0.114D-03-0.319D-03 0.828D-03
 Coeff:      0.286D-02 0.524D-02-0.367D-01-0.725D-01 0.170D+00 0.930D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=2.20D-08 MaxDP=1.91D-06 DE= 4.09D-12 OVMax= 4.89D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.30D-09    CP:  1.13D+00  1.17D+00  1.11D+00  1.11D+00  1.06D+00
                    CP:  1.18D+00  1.17D+00  1.44D+00  1.27D+00  1.40D+00
                    CP:  1.31D+00  1.19D+00
 E= -465.258764328180     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 5.38D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -465.258764328180     IErMin=13 ErrMin= 5.38D-09
 ErrMax= 5.38D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.26D-14 BMatP= 4.46D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.678D-06 0.100D-04 0.606D-05-0.444D-04-0.184D-03-0.186D-03
 Coeff-Com:  0.899D-03 0.448D-02-0.412D-02-0.337D-01-0.378D-01 0.208D+00
 Coeff-Com:  0.863D+00
 Coeff:     -0.678D-06 0.100D-04 0.606D-05-0.444D-04-0.184D-03-0.186D-03
 Coeff:      0.899D-03 0.448D-02-0.412D-02-0.337D-01-0.378D-01 0.208D+00
 Coeff:      0.863D+00
 Gap=     0.384 Goal=   None    Shift=    0.000
 RMSDP=5.42D-09 MaxDP=3.24D-07 DE=-8.19D-12 OVMax= 1.73D-07

 SCF Done:  E(RM11) =  -465.258764328     A.U. after   13 cycles
            NFock= 13  Conv=0.54D-08     -V/T= 2.0124
 KE= 4.595540075745D+02 PE=-2.300852188422D+03 EE= 7.642136101330D+02
 Leave Link  502 at Fri Aug 13 11:13:52 2021, MaxMem=  5637144576 cpu:            2952.2 elap:             370.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.48743265D+02

 Leave Link  801 at Fri Aug 13 11:13:53 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 4.32D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.35D-01 5.31D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 1.97D-02 5.72D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 2.24D-03 1.26D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 2.00D-04 2.55D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.21D-05 6.49D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 4.98D-07 9.86D-05.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 1.71D-08 2.11D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 5.40D-10 3.29D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.18D-11 4.01D-07.
      9 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 2.28D-13 4.86D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.163520D+03
      2 -0.641094D+01  0.118780D+03
      3  0.655458D+01 -0.298621D+01  0.101855D+03
 Isotropic polarizability for W=    0.085645      128.05 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.555568D+02 -0.185942D+02  0.352195D+02
      2  -0.114344D+02  0.184181D+02 -0.172300D+02
      3  -0.441223D+02  0.176119D+00 -0.179896D+02
      4  -0.168331D+01 -0.348318D+02 -0.333862D+02
      5   0.314623D+02 -0.313149D+02 -0.864092D+02
      6  -0.106178D+02 -0.384358D+01  0.248813D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.277505D+01 -0.181490D+01 -0.104422D+02
      2   0.400237D+02 -0.139383D+02 -0.343898D+02
      3   0.125683D+01  0.204233D+02  0.116136D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.207126D+01  0.133864D+02 -0.247052D+02
      2   0.375725D+01 -0.227684D+02 -0.422869D+02
      3   0.169109D+02  0.233973D+02  0.206972D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.644514D+00 -0.740924D+01  0.132206D+01
      2  -0.740924D+01  0.150224D+01  0.113044D+01
      3   0.132206D+01  0.113044D+01 -0.407333D+00
 OR G Eigenvalues:    -7.4852     0.0201     7.9155  Iso=    -0.1501
 Eigenvectors:
   (1)   0.734358   0.635423  -0.238655
   (2)   0.179601   0.157166   0.971104
   (3)  -0.654570   0.756001  -0.001294
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1501 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -46.77 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 7.12D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.84D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.54D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 6.39D-02 4.52D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 2.68D-03 1.05D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 5.27D-05 7.96D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.03D-06 1.14D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.45D-08 1.23D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 1.65D-10 1.13D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.79D-12 1.41D-07.
     22 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 1.65D-14 1.21D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.50D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.50D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.86D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163520D+03 -0.641094D+01  0.655458D+01
      2  -0.641094D+01  0.118780D+03 -0.298621D+01
      3   0.655458D+01 -0.298621D+01  0.101855D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.277505D+01 -0.181490D+01 -0.104422D+02
      2   0.400237D+02 -0.139383D+02 -0.343898D+02
      3   0.125683D+01  0.204233D+02  0.116136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.555568D+02 -0.185942D+02  0.352195D+02
      2  -0.114344D+02  0.184181D+02 -0.172300D+02
      3  -0.441223D+02  0.176119D+00 -0.179896D+02
      4  -0.168331D+01 -0.348318D+02 -0.333862D+02
      5   0.314623D+02 -0.313149D+02 -0.864092D+02
      6  -0.106178D+02 -0.384358D+01  0.248813D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.293796D+01 -0.193671D+01 -0.381976D+01 -0.142713D+01 -0.375163D+01
      2  -0.193671D+01 -0.362142D+01  0.213729D+01 -0.375163D+01 -0.175743D+01
      3  -0.381976D+01  0.213729D+01  0.340542D+01  0.214263D+01 -0.178200D+01
                 6             7             8             9            10 
      1   0.214263D+01 -0.357857D+01  0.262337D+01  0.321020D+01 -0.190684D+02
      2  -0.178200D+01  0.262337D+01 -0.134548D+01  0.784053D+00  0.444320D+01
      3   0.137163D+01  0.321020D+01  0.784053D+00  0.820374D+00  0.301259D+01
                11            12            13            14            15 
      1   0.444320D+01  0.301259D+01  0.105497D+02  0.174976D+01 -0.238994D+01
      2   0.264132D+01 -0.216343D+01  0.174976D+01  0.445794D+01  0.138257D+01
      3  -0.216343D+01 -0.313999D+01 -0.238994D+01  0.138257D+01 -0.840249D+00
                16            17            18            19            20 
      1   0.123254D+02 -0.381217D+01 -0.495897D+01  0.332195D+02 -0.492464D+01
      2  -0.381217D+01  0.227401D+01 -0.279027D+00 -0.492464D+01  0.252581D+01
      3  -0.495897D+01 -0.279027D+00 -0.258732D+01  0.591573D+00  0.751760D+00
                21            22            23            24            25 
      1   0.591573D+00 -0.896479D+01  0.354543D+01  0.185227D+01 -0.441189D+01
      2   0.751760D+00  0.354543D+01  0.213040D+01 -0.187971D+01  0.213046D+01
      3   0.270134D+01  0.185227D+01 -0.187971D+01 -0.196202D+01  0.639872D+01
                26            27            28            29            30 
      1   0.213046D+01  0.639872D+01 -0.491644D+02  0.572304D+01 -0.455755D+01
      2  -0.251350D+01 -0.180557D+01  0.572304D+01 -0.255731D+01 -0.359991D-01
      3  -0.180557D+01  0.511789D+01 -0.455755D+01 -0.359991D-01 -0.280275D+01
                31            32            33            34            35 
      1   0.142218D+02 -0.461299D+01  0.102221D+01 -0.135004D+02  0.451977D+00
      2  -0.461299D+01 -0.226092D+01  0.126959D+01  0.451977D+00  0.112846D+01
      3   0.102221D+01  0.126959D+01  0.166601D+01 -0.643413D+01  0.105101D+01
                36            37            38            39            40 
      1  -0.643413D+01  0.498637D+02 -0.761266D+01  0.658219D+01 -0.107776D+02
      2   0.105101D+01 -0.761266D+01  0.142011D+01 -0.499346D+00  0.370127D+01
      3  -0.492154D+01  0.658219D+01 -0.499346D+00  0.286275D+01 -0.421771D+00
                41            42            43            44            45 
      1   0.370127D+01 -0.421771D+00  0.141972D+02 -0.119802D+01  0.575315D+01
      2   0.276206D+01 -0.159074D+01 -0.119802D+01 -0.170088D+01 -0.122174D+01
      3  -0.159074D+01 -0.196092D+01  0.575315D+01 -0.122174D+01  0.275734D+01
                46            47            48            49            50 
      1  -0.367249D+02  0.758385D+01 -0.707471D+01  0.668873D+01 -0.375451D+01
      2   0.758385D+01 -0.178017D+01  0.186213D+01 -0.375451D+01 -0.135398D+01
      3  -0.707471D+01  0.186213D+01 -0.111212D+01  0.233416D+01 -0.106516D+00
                51            52            53            54            55 
      1   0.233416D+01 -0.953011D+01  0.279147D+01 -0.216763D+01  0.292277D+02
      2  -0.106516D+00  0.279147D+01  0.105978D+00  0.810003D+00 -0.670424D+01
      3   0.117721D+01 -0.216763D+01  0.810003D+00 -0.895098D+00  0.514378D+01
                56            57            58            59            60 
      1  -0.670424D+01  0.514378D+01 -0.194400D+02  0.710731D+01 -0.359529D+01
      2   0.309081D+01 -0.124979D+01  0.710731D+01 -0.580151D+01  0.189594D+01
      3  -0.124979D+01  0.216769D+01 -0.359529D+01  0.189594D+01 -0.193935D+01
                61            62            63            64            65 
      1   0.101046D+02 -0.195302D+01  0.576822D+01  0.563885D+01 -0.266828D+01
      2  -0.195302D+01  0.111620D+01 -0.262175D+01 -0.266828D+01 -0.311014D+01
      3   0.576822D+01 -0.262175D+01  0.359763D+01 -0.214443D+01  0.263905D+01
                66            67            68            69            70 
      1  -0.214443D+01 -0.213843D+01 -0.266213D+01  0.289048D+01 -0.394878D+01
      2   0.263905D+01 -0.266213D+01 -0.320996D+01 -0.504264D+00  0.296514D+01
      3   0.279085D+01  0.289048D+01 -0.504264D+00  0.159534D+01  0.370474D+01
                71            72            73            74            75 
      1   0.296514D+01  0.370474D+01  0.228844D+01  0.182475D+01  0.154658D+01
      2  -0.850535D+00  0.723448D+00  0.182475D+01 -0.227403D+01 -0.829538D+00
      3   0.723448D+00  0.425035D+01  0.154658D+01 -0.829538D+00  0.298092D+01
                76            77            78            79            80 
      1   0.297538D+01 -0.308648D+01 -0.177773D+01  0.627430D-01 -0.122410D+01
      2  -0.308648D+01 -0.557054D+01 -0.343585D+00 -0.122410D+01 -0.100675D+01
      3  -0.177773D+01 -0.343585D+00  0.148212D+01  0.475820D+01  0.192541D+01
                81            82            83            84            85 
      1   0.475820D+01  0.285797D+01 -0.245464D+01 -0.208708D+01 -0.271853D+01
      2   0.192541D+01 -0.245464D+01 -0.164535D+01  0.170624D+01 -0.218570D+01
      3  -0.121629D+01 -0.208708D+01  0.170624D+01 -0.909100D+00  0.146923D+01
                86            87            88            89            90 
      1  -0.218570D+01  0.146923D+01 -0.170165D+01  0.211149D+01 -0.124494D+01
      2   0.939829D+00  0.286503D+01  0.211149D+01  0.409917D+01  0.260343D+01
      3   0.286503D+01  0.230954D+01 -0.124494D+01  0.260343D+01 -0.423598D+00
                91            92            93            94            95 
      1  -0.811470D+01 -0.200683D+01 -0.206847D+01  0.579409D+00  0.350653D+01
      2  -0.200683D+01  0.298763D+01  0.172225D-01  0.350653D+01  0.887612D+00
      3  -0.206847D+01  0.172225D-01  0.168541D+01 -0.214720D-01 -0.120899D+01
                96            97            98            99           100 
      1  -0.214720D-01 -0.313739D+01 -0.172086D+00  0.689293D+00 -0.663405D+01
      2  -0.120899D+01 -0.172086D+00 -0.128443D+01 -0.259149D+01 -0.157359D+01
      3  -0.189219D+01  0.689293D+00 -0.259149D+01  0.380254D+01 -0.278841D+01
               101           102           103           104           105 
      1  -0.157359D+01 -0.278841D+01 -0.568258D+00 -0.988821D+00 -0.193974D+00
      2  -0.120570D+01 -0.474625D+00 -0.988821D+00 -0.190623D+00 -0.664541D+00
      3  -0.474625D+00 -0.218593D+01 -0.193974D+00 -0.664541D+00 -0.427858D+00
               106           107           108           109           110 
      1  -0.463975D+01 -0.707135D+00 -0.315355D+01 -0.328295D+01 -0.162853D+01
      2  -0.707135D+00 -0.133458D+01 -0.103121D+01 -0.162853D+01 -0.775515D+00
      3  -0.315355D+01 -0.103121D+01 -0.281086D+01  0.196881D+01  0.849054D+00
               111           112           113           114           115 
      1   0.196881D+01 -0.103061D+01 -0.133372D+01  0.104899D+01  0.406376D+01
      2   0.849054D+00 -0.133372D+01 -0.141658D+01  0.144260D+01  0.179776D+01
      3  -0.201316D+01  0.104899D+01  0.144260D+01 -0.137903D+01 -0.392132D+01
               116           117           118           119           120 
      1   0.179776D+01 -0.392132D+01 -0.463028D+01  0.108465D+01 -0.187072D+01
      2   0.227920D+01 -0.204996D+01  0.108465D+01 -0.602915D+00  0.732968D-01
      3  -0.204996D+01  0.524962D+01 -0.187072D+01  0.732968D-01 -0.163779D+01
               121           122           123           124           125 
      1   0.428793D+01 -0.120521D+01  0.134490D+00 -0.330881D+01 -0.730798D-01
      2  -0.120521D+01  0.251308D+00 -0.108204D+01 -0.730798D-01 -0.109595D+01
      3   0.134490D+00 -0.108204D+01  0.103443D+01 -0.317662D+01  0.997442D+00
               126           127           128           129           130 
      1  -0.317662D+01  0.192460D+01 -0.334860D+00  0.108756D+01 -0.346900D+00
      2   0.997442D+00 -0.334860D+00  0.145489D+01 -0.744367D+00  0.941410D+00
      3  -0.864307D+01  0.108756D+01 -0.744367D+00  0.121939D+01 -0.528944D+00
               131           132           133           134           135 
      1   0.941410D+00 -0.528944D+00  0.178184D+01 -0.655211D+00  0.920847D+00
      2  -0.236063D+01  0.912341D+00 -0.655211D+00  0.178700D+01 -0.176848D+01
      3   0.912341D+00 -0.120124D+01  0.920847D+00 -0.176848D+01  0.300441D+01
               136           137           138           139           140 
      1  -0.731039D+00 -0.104976D+01 -0.531096D+00 -0.382312D+00 -0.379774D+00
      2  -0.104976D+01 -0.614626D-01 -0.174031D+00 -0.379774D+00 -0.721578D+01
      3  -0.531096D+00 -0.174031D+00  0.482534D-01 -0.260026D+00 -0.343656D+01
               141           142           143           144           145 
      1  -0.260026D+00 -0.104156D+01 -0.493936D+00  0.856653D-01  0.231059D+01
      2  -0.343656D+01 -0.493936D+00 -0.469873D+01 -0.349754D+01  0.209132D+01
      3  -0.243365D+01  0.856653D-01 -0.349754D+01 -0.335291D+01  0.716120D+00
               146           147           148           149           150 
      1   0.209132D+01  0.716120D+00  0.203538D+01  0.229937D+01  0.124936D+00
      2   0.268647D+01  0.467380D+00  0.229937D+01  0.553128D+01  0.139691D+01
      3   0.467380D+00  0.697567D+00  0.124936D+00  0.139691D+01  0.143542D+01
               151           152           153           154           155 
      1   0.847968D-01 -0.132836D+00  0.248535D+00  0.186764D+01 -0.864424D+00
      2  -0.132836D+00  0.246361D+00  0.799240D+00 -0.864424D+00  0.145554D+01
      3   0.248535D+00  0.799240D+00  0.318983D+00  0.139597D+01 -0.659757D+00
               156           157           158           159           160 
      1   0.139597D+01 -0.134361D+01  0.139646D+01 -0.825248D+00  0.119937D+01
      2  -0.659757D+00  0.139646D+01 -0.245412D+01  0.127729D+01 -0.721405D+00
      3   0.131024D+01 -0.825248D+00  0.127729D+01 -0.246048D+01  0.681510D+00
               161           162           163           164           165 
      1  -0.721405D+00  0.681510D+00 -0.533293D+01  0.156597D+01  0.360206D+01
      2   0.112868D+01 -0.128651D+01  0.156597D+01 -0.116806D+01 -0.143375D+01
      3  -0.128651D+01  0.265873D+01  0.360206D+01 -0.143375D+01 -0.411122D+01
               166           167           168           169           170 
      1   0.815138D+00 -0.774013D+00 -0.854400D+00  0.251459D+01 -0.105746D+01
      2  -0.774013D+00  0.124395D+01  0.136009D+01 -0.105746D+01  0.107349D+01
      3  -0.854400D+00  0.136009D+01  0.840854D+00 -0.322644D+01  0.125729D+01
               171           172           173           174           175 
      1  -0.322644D+01 -0.249255D+01  0.268915D+00 -0.176813D+01 -0.839435D+00
      2   0.125729D+01  0.268915D+00 -0.424839D-01 -0.187114D+00  0.713659D-01
      3   0.464308D+01 -0.176813D+01 -0.187114D+00 -0.218360D+01 -0.739989D+00
               176           177           178           179           180 
      1   0.713659D-01 -0.739989D+00 -0.232925D+01  0.139946D+00 -0.319530D+01
      2  -0.469601D+00 -0.851657D+00  0.139946D+00 -0.135957D+01  0.138755D+00
      3  -0.851657D+00 -0.128598D+01 -0.319530D+01  0.138755D+00 -0.700849D+01
               181           182           183           184           185 
      1   0.144031D+01  0.148421D+01  0.276495D-01  0.158853D+01  0.106444D+01
      2   0.148421D+01  0.351086D+01 -0.802110D+00  0.106444D+01  0.777798D+01
      3   0.276495D-01 -0.802110D+00  0.592990D+00 -0.311642D+00 -0.114001D+01
               186           187           188           189           190 
      1  -0.311642D+00  0.351887D+00 -0.505302D+00 -0.452388D-01 -0.800231D+01
      2  -0.114001D+01 -0.505302D+00 -0.700939D+00  0.116209D+01  0.331820D+01
      3   0.102793D+01 -0.452388D-01  0.116209D+01 -0.893395D+00  0.201302D+01
               191           192           193           194           195 
      1   0.331820D+01  0.201302D+01  0.174266D+01 -0.178362D+01 -0.838471D+00
      2  -0.196374D+01 -0.873807D+00 -0.178362D+01  0.209607D+01  0.727482D+00
      3  -0.873807D+00 -0.181562D+01 -0.838471D+00  0.727482D+00  0.317169D+00
               196           197           198           199           200 
      1   0.433551D+01 -0.198828D+01 -0.230802D+01 -0.479316D+00  0.136803D+01
      2  -0.198828D+01  0.187173D+01  0.830406D+00  0.136803D+01  0.843660D+00
      3  -0.230802D+01  0.830406D+00  0.163393D+01 -0.704814D+00 -0.148580D+00
               201           202           203           204           205 
      1  -0.704814D+00  0.163636D+01  0.974383D+00 -0.397564D-01 -0.183750D+01
      2  -0.148580D+00  0.974383D+00  0.589950D+01 -0.173706D+01  0.308190D+00
      3  -0.316435D-01 -0.397564D-01 -0.173706D+01  0.126393D+01  0.819208D+00
               206           207           208           209           210 
      1   0.308190D+00  0.819208D+00  0.484620D+00 -0.112736D+01  0.407013D+00
      2  -0.144794D+01  0.882618D+00 -0.112736D+01 -0.267870D+00 -0.144620D-01
      3   0.882618D+00 -0.500180D+00  0.407013D+00 -0.144620D-01  0.996450D-01
               211           212           213           214           215 
      1  -0.194155D+01 -0.367130D+00 -0.322451D-01  0.597835D+00 -0.104386D+00
      2  -0.367130D+00 -0.659432D+01  0.105604D+01 -0.104386D+00  0.145689D+01
      3  -0.322451D-01  0.105604D+01 -0.107053D+01 -0.282257D+00 -0.776258D+00
               216           217           218           219           220 
      1  -0.282257D+00  0.126789D+01  0.407075D+00 -0.592645D+00  0.108727D+01
      2  -0.776258D+00  0.407075D+00 -0.875338D+00  0.171114D+00 -0.218396D-01
      3   0.360432D+00 -0.592645D+00  0.171114D+00 -0.624705D+00  0.120667D-01
               221           222           223           224           225 
      1  -0.218396D-01  0.120667D-01 -0.177087D+01 -0.871621D+00  0.520984D+00
      2   0.142249D+01 -0.119888D+01 -0.871621D+00 -0.226170D+01  0.232233D+01
      3  -0.119888D+01  0.138141D+01  0.520984D+00  0.232233D+01 -0.681581D+01
               226           227           228           229           230 
      1   0.100084D+02  0.284394D+01  0.741812D+00  0.152799D+01  0.126403D+01
      2   0.284394D+01  0.181796D+01  0.185044D+00  0.126403D+01  0.809634D+00
      3   0.741812D+00  0.185044D+00  0.117467D+01  0.171432D+00  0.362510D+00
               231           232           233           234           235 
      1   0.171432D+00  0.148152D+01  0.488771D+00  0.120975D+01 -0.680334D+00
      2   0.362510D+00  0.488771D+00  0.621626D+00  0.673241D+00  0.879386D+00
      3   0.347799D+00  0.120975D+01  0.673241D+00  0.199086D+00  0.117107D+01
               236           237           238           239           240 
      1   0.879386D+00  0.117107D+01  0.218279D+01 -0.714190D+00 -0.372006D+00
      2  -0.248354D+01 -0.568879D+00 -0.714190D+00  0.444594D+01  0.157816D+01
      3  -0.568879D+00 -0.116949D+01 -0.372006D+00  0.157816D+01  0.160272D+01
               241           242           243 
      1   0.163549D+01 -0.138531D+00 -0.654607D+00
      2  -0.138531D+00  0.241218D+01  0.196875D+01
      3  -0.654607D+00  0.196875D+01  0.165417D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.936567D+00 -0.106342D+02  0.176686D+01 -0.111899D+02 -0.281004D+01
      2   0.675621D+01  0.779392D+00  0.531935D+01 -0.368457D+00  0.114935D+02
      3  -0.210657D+01 -0.107602D+02 -0.876471D+00 -0.609362D+01 -0.719793D+01
                 6             7             8             9            10 
      1  -0.854764D+01  0.195119D+01 -0.183728D+01  0.290648D+01 -0.816584D+01
      2  -0.699774D+01 -0.130412D+01 -0.578810D+01 -0.724183D+01 -0.233334D+02
      3  -0.247774D-01  0.108175D+01 -0.213238D-01  0.414166D+01  0.390787D+01
                11            12            13            14            15 
      1   0.589018D+01  0.242312D+01  0.700680D+01 -0.827084D+00 -0.399617D+01
      2   0.803823D+01  0.117660D+02  0.141850D+02 -0.662871D+01  0.218959D+01
      3   0.593243D+01 -0.149511D+01  0.145658D+02  0.146607D+02  0.152352D+01
                16            17            18            19            20 
      1   0.415386D+01  0.564943D+01  0.694496D+00  0.111202D+02 -0.443447D+01
      2   0.133060D+02  0.108126D+01  0.344014D+01  0.254667D+02 -0.609055D+01
      3  -0.282168D+01  0.250311D+00 -0.389955D+01 -0.284499D+01 -0.525147D+01
                21            22            23            24            25 
      1  -0.232226D+01 -0.626041D+01 -0.521203D+01 -0.751666D+00 -0.725413D+01
      2   0.117849D+01 -0.116531D+02  0.564055D+01  0.380982D+01 -0.179266D+02
      3  -0.918825D+00  0.829780D+01 -0.163783D+01 -0.517256D+00 -0.247496D+01
                26            27            28            29            30 
      1   0.514651D+01  0.300519D+01 -0.110585D+02  0.179533D+01  0.118975D+01
      2   0.386734D+01  0.298842D+01 -0.292167D+02  0.296463D+01 -0.746023D+01
      3  -0.468018D+00 -0.165961D+01  0.362332D+01  0.216799D+01  0.222988D+01
                31            32            33            34            35 
      1   0.293794D+01  0.338143D+01 -0.195907D+01  0.552024D+01  0.294395D+01
      2   0.827789D+01 -0.295618D+01  0.192368D+01 -0.395160D+02  0.307394D+01
      3   0.177084D+02 -0.969615D+00  0.940284D+00  0.656847D+01  0.125965D+01
                36            37            38            39            40 
      1  -0.970109D+00  0.890420D+01 -0.158466D+01 -0.234209D+01 -0.739536D+01
      2  -0.101793D+02  0.360858D+02 -0.419332D+01  0.130776D+02 -0.603520D+01
      3   0.582462D+00  0.391542D+01 -0.661437D+01 -0.146155D+01  0.902113D+01
                41            42            43            44            45 
      1   0.119011D+00 -0.231856D+01 -0.516908D+01  0.705506D+00 -0.467832D+00
      2  -0.746088D+00  0.205868D+00  0.126127D+02 -0.242619D+00  0.715144D+01
      3  -0.115130D+02  0.438784D+01 -0.412102D+01  0.249116D+01  0.482475D-01
                46            47            48            49            50 
      1  -0.835980D+01 -0.126781D+01  0.841666D+01 -0.130188D+01  0.697207D+01
      2  -0.206710D+02  0.395447D+01 -0.179417D+02  0.185799D+01 -0.187916D+01
      3  -0.936170D+01  0.771099D+01  0.306050D+01  0.191150D+02  0.276713D+01
                51            52            53            54            55 
      1   0.453393D+01  0.486929D+01  0.156941D+02 -0.333055D+01  0.440064D+01
      2   0.372192D+01 -0.265161D+02 -0.193192D+01 -0.819806D+01  0.159033D+02
      3   0.296196D+01  0.106531D+01  0.562491D+01 -0.130786D+01  0.564522D+01
                56            57            58            59            60 
      1   0.141396D+01 -0.179183D+01 -0.171703D+01 -0.250550D+01 -0.474958D+01
      2  -0.374071D+01  0.183308D+02 -0.104259D+02  0.620987D+01 -0.119702D+02
      3  -0.167646D+02 -0.455690D-02 -0.901607D+01  0.189991D+02 -0.397425D+01
                61            62            63            64            65 
      1   0.932064D+00 -0.111068D+01  0.191822D+01  0.594900D+01 -0.372915D+01
      2   0.145812D+02 -0.503236D+01  0.136666D+02  0.998116D+01 -0.105973D+02
      3   0.255444D+00 -0.754057D+01  0.482785D+01  0.525528D+00 -0.187754D+02
                66            67            68            69            70 
      1  -0.764084D+01 -0.413942D+01  0.393857D+01 -0.427246D+01 -0.109794D+02
      2  -0.834088D+01 -0.990118D+01  0.194204D+00 -0.283105D+01 -0.167370D+02
      3   0.539768D+01 -0.856422D+01 -0.182289D+02  0.389455D+01  0.442106D+01
                71            72            73            74            75 
      1   0.240369D+01 -0.914147D+01  0.432657D+01 -0.381291D+01  0.384909D+01
      2   0.587847D+00 -0.113463D+02 -0.269052D+01  0.185785D+01 -0.892750D+01
      3   0.390712D+01  0.907583D+01  0.752250D+01 -0.165361D+02 -0.764867D+01
                76            77            78            79            80 
      1  -0.302192D+01 -0.315263D+01 -0.481794D-01  0.693961D+01  0.594302D+01
      2   0.547891D+01  0.176848D+01 -0.542937D+01 -0.220897D+02 -0.775791D+01
      3  -0.991439D+01 -0.149026D+02  0.383944D+00 -0.846730D+01  0.112094D+01
                81            82            83            84            85 
      1  -0.165572D+01 -0.414373D+01  0.638489D+01 -0.281547D+01  0.890529D+01
      2   0.513753D+01  0.406452D+01 -0.319710D+01  0.287277D+01 -0.496800D+01
      3   0.117410D+01 -0.110584D+02  0.153376D+00  0.836647D+01  0.862776D+01
                86            87            88            89            90 
      1   0.977925D+01  0.154228D+01 -0.199211D+01  0.910594D+01 -0.132154D+01
      2  -0.410263D+01 -0.150760D+01 -0.115918D+01 -0.533769D+00  0.222479D+00
      3   0.524813D+01 -0.153509D+01  0.108410D+02 -0.948058D+00  0.677367D+01
                91            92            93            94            95 
      1   0.348298D+01 -0.254292D+01 -0.570226D+01  0.334142D+00  0.239352D+01
      2  -0.972026D+01 -0.179251D-01  0.873459D+01  0.460087D+00 -0.327558D+01
      3  -0.171591D+01 -0.187288D+02 -0.402788D+01 -0.962220D+01  0.122399D+01
                96            97            98            99           100 
      1  -0.132856D+01  0.232138D+01  0.105789D+02 -0.678279D+01 -0.361403D+01
      2  -0.470136D+01 -0.153743D+01 -0.100988D+02  0.138981D+02  0.831891D+01
      3   0.441058D+01 -0.307100D+01  0.643809D+01  0.126284D+02  0.413252D+01
               101           102           103           104           105 
      1   0.362992D+00 -0.329891D+01 -0.141578D-01 -0.692921D+00 -0.139426D+01
      2   0.117163D+01  0.907761D+01  0.816540D+00  0.183121D+01  0.147542D+01
      3  -0.365421D+01  0.221938D+01 -0.499634D+00  0.111445D+01 -0.196390D+01
               106           107           108           109           110 
      1  -0.388433D+01  0.414375D+00 -0.402558D+01  0.228748D+01  0.157406D+00
      2   0.759153D+01  0.278511D+01  0.944723D+01 -0.401284D+01 -0.241343D+01
      3   0.377375D+01 -0.476580D+01  0.867604D+00  0.282354D+00 -0.201364D+01
               111           112           113           114           115 
      1  -0.288428D+01  0.166429D+01  0.104696D+01 -0.247133D+01 -0.443609D+01
      2   0.746406D+01 -0.217757D+01 -0.461932D+01  0.463102D+01  0.960373D+01
      3   0.243556D+00 -0.301654D+00 -0.296205D+01  0.298530D+01  0.486469D+00
               116           117           118           119           120 
      1   0.741072D+00  0.742410D+01 -0.193697D+01  0.154554D+01 -0.512323D+00
      2   0.605189D+01 -0.172091D+02 -0.316693D+01  0.141401D+01  0.849818D+00
      3   0.652828D+01 -0.156382D+01  0.862069D+00 -0.177663D+01  0.612857D+00
               121           122           123           124           125 
      1   0.232462D+01 -0.272524D+00  0.844419D+00  0.171547D+01  0.380935D+01
      2   0.494980D+01 -0.728182D+00 -0.612859D+00 -0.342747D+01 -0.895198D+00
      3   0.112361D+01 -0.634009D-01 -0.673875D+00  0.899233D+00 -0.148311D+01
               126           127           128           129           130 
      1  -0.301837D+01  0.299589D+01 -0.180646D+01  0.379113D+01 -0.167614D+01
      2   0.474679D+01 -0.245213D+01  0.932907D+00 -0.403841D+00  0.105981D+01
      3   0.115353D+01 -0.781994D+01  0.178849D+01 -0.476046D+01  0.362652D+01
               131           132           133           134           135 
      1   0.210062D+01 -0.398846D+01  0.280081D+01 -0.248451D+01  0.872984D+01
      2  -0.114209D+01  0.104863D+01 -0.319177D+01  0.203240D+01 -0.293744D+01
      3  -0.574982D+01  0.296414D+01 -0.723386D+01  0.417092D+01 -0.623018D+01
               136           137           138           139           140 
      1  -0.451784D+00 -0.552011D+00  0.400810D+00  0.108158D+00 -0.368337D+01
      2   0.183768D+00 -0.178381D+00  0.437183D+00 -0.672179D+00  0.338721D+01
      3  -0.118183D+01  0.119500D+01  0.652036D+00  0.418079D+01 -0.103690D+02
               141           142           143           144           145 
      1  -0.628548D+01  0.629447D+00 -0.403050D+01 -0.689099D+01  0.389355D+01
      2   0.259202D+01 -0.225434D+01  0.364741D+01  0.386202D+01 -0.775265D+01
      3  -0.459563D+01  0.229617D+01 -0.568893D+01 -0.575892D+01  0.839261D+01
               146           147           148           149           150 
      1   0.566362D+01 -0.116469D+01  0.524643D+01  0.919164D+01 -0.157769D+01
      2  -0.526468D+01 -0.125980D+01 -0.577953D+01 -0.809531D+01 -0.163731D+01
      3   0.563864D+01  0.132959D+01  0.893125D+01  0.105742D+02  0.248041D+01
               151           152           153           154           155 
      1  -0.809745D+00  0.613229D+00  0.141028D+01 -0.387363D+01  0.528474D+01
      2  -0.188986D+01 -0.108676D+01 -0.951824D+00 -0.873917D+01  0.381110D+01
      3  -0.605156D+00 -0.510640D-02  0.172274D+01 -0.309569D+00  0.339850D+00
               156           157           158           159           160 
      1  -0.205844D+01  0.470141D+01 -0.839692D+01  0.260375D+01 -0.235798D+01
      2  -0.369144D+01  0.567063D+01 -0.588145D+01  0.525891D+01 -0.521517D+01
      3   0.480200D-01  0.278055D+01 -0.145858D+01  0.102308D+01 -0.615965D+00
               161           162           163           164           165 
      1   0.474252D+01 -0.415053D+01 -0.846321D+00 -0.183596D+01  0.195139D+01
      2   0.382038D+01 -0.526651D+01  0.391741D+01  0.172820D+00  0.323132D+01
      3   0.269911D+00 -0.119793D+01 -0.215755D+01 -0.250204D+01  0.382287D+00
               166           167           168           169           170 
      1  -0.332939D+00  0.106306D+01  0.427368D+00  0.102336D+01  0.254705D+01
      2  -0.107898D+01 -0.146062D+01  0.944431D-01 -0.273457D+01  0.823392D-01
      3   0.483223D+00  0.188256D+01  0.143128D+01  0.156206D+01  0.166158D+01
               171           172           173           174           175 
      1  -0.277656D+01  0.286944D+01  0.106201D+01  0.424918D+01  0.770875D+00
      2  -0.316285D+01  0.317358D+01  0.640916D+00  0.655609D+01  0.943625D+00
      3  -0.825383D+00 -0.277938D+01 -0.715084D+00 -0.355040D+01  0.152991D+00
               176           177           178           179           180 
      1   0.252033D+01  0.196198D+01  0.518882D+01  0.402431D+01  0.121830D+02
      2   0.270985D+01  0.367247D+01  0.527287D+01  0.159634D+00  0.196844D+02
      3  -0.181220D+01 -0.359032D+01 -0.347099D+01 -0.522022D+01 -0.489665D+01
               181           182           183           184           185 
      1  -0.106476D+01 -0.634403D+00 -0.166596D+01 -0.414522D+00 -0.262496D+01
      2   0.143682D+01  0.315517D+01 -0.541021D+00  0.239621D+01  0.425440D+01
      3   0.979678D+01  0.128177D+02 -0.230598D+01  0.965527D+01  0.263403D+02
               186           187           188           189           190 
      1  -0.366020D+01  0.277877D+00 -0.397961D+00  0.129721D+01 -0.563425D+01
      2  -0.251503D+01 -0.729741D+00 -0.342575D+01  0.228719D+01 -0.990399D+01
      3  -0.422274D+01 -0.156778D+01 -0.337311D+01  0.341139D+01 -0.404112D+01
               191           192           193           194           195 
      1   0.224029D+01  0.479500D+01  0.264076D+01 -0.224050D+01 -0.207520D+01
      2   0.458123D+01  0.951959D+01  0.387522D+01 -0.342051D+01 -0.209795D+01
      3  -0.290680D+01  0.789270D+00 -0.209684D+00  0.402957D+01  0.684350D+00
               196           197           198           199           200 
      1   0.485471D+01 -0.849445D+00 -0.376253D+01  0.316591D+00 -0.105744D+01
      2   0.816997D+01 -0.325890D+01 -0.743869D+01 -0.378689D+00  0.118324D+01
      3   0.781872D+00  0.356501D+01 -0.139936D+01 -0.369622D-01 -0.315122D+00
               201           202           203           204           205 
      1  -0.637695D+00 -0.205325D+01 -0.541716D+01 -0.173330D+01 -0.552754D+01
      2  -0.376878D+00  0.187848D+01  0.843997D+00  0.633684D+00 -0.319654D+01
      3  -0.103040D-01  0.336952D+01 -0.292374D+01  0.296585D+00 -0.147011D+01
               206           207           208           209           210 
      1   0.214820D+01 -0.897728D+00  0.891819D+00  0.679725D-01 -0.204430D+00
      2   0.115697D+00  0.481966D+00  0.222321D+01 -0.251293D+00  0.310350D+00
      3   0.619781D+00 -0.696884D+00  0.306357D+01  0.111986D+01 -0.280573D+00
               211           212           213           214           215 
      1  -0.256359D+00  0.810198D+00 -0.345154D+01 -0.182810D+01  0.274525D+00
      2  -0.207715D+00  0.306171D+01 -0.219874D+01 -0.413199D+01 -0.170305D+01
      3   0.562920D+01  0.133817D+02 -0.238867D+01 -0.186069D+01 -0.295037D+01
               216           217           218           219           220 
      1   0.486600D+00  0.990470D-01 -0.559835D+00  0.151247D+01 -0.126013D+01
      2   0.457181D+00 -0.162946D+01  0.104669D+01 -0.211165D+01  0.164228D+01
      3   0.174213D+01 -0.105759D+01  0.302865D+01 -0.200116D+01  0.149210D+01
               221           222           223           224           225 
      1   0.118650D+01 -0.256732D+01 -0.134992D+01 -0.298576D+01  0.122959D+02
      2  -0.380023D+01  0.455616D+01 -0.238015D+00  0.818505D+01 -0.237504D+02
      3  -0.526891D+01  0.409429D+01 -0.425549D+00  0.612477D+01 -0.847333D+01
               226           227           228           229           230 
      1  -0.227243D+01 -0.554142D+00 -0.213819D+01 -0.762749D+00 -0.714096D+00
      2   0.549556D+01  0.152034D+01  0.638716D+01  0.131668D+01  0.161585D+01
      3   0.491513D+01 -0.475995D+01  0.761509D+00 -0.915326D-01 -0.927818D+00
               231           232           233           234           235 
      1  -0.142684D+01 -0.135985D+01 -0.131327D+00 -0.408506D+00 -0.105194D+01
      2   0.162164D+01  0.333052D+01  0.203308D+01  0.121024D+01  0.393683D+01
      3  -0.104394D+01  0.484230D+00 -0.193640D+01 -0.109688D+01 -0.691238D+01
               236           237           238           239           240 
      1   0.313746D+01  0.283419D+01  0.187928D+01 -0.445890D+01 -0.424644D+01
      2  -0.277447D+01 -0.312166D+01 -0.154130D+01  0.572520D+01  0.506394D+01
      3   0.107851D+02  0.474317D+01  0.731714D+01 -0.174354D+02 -0.664865D+01
               241           242           243 
      1   0.569188D+00 -0.426187D+01 -0.424476D+01
      2  -0.243780D+01  0.743069D+01  0.571749D+01
      3   0.368922D+01 -0.963142D+01 -0.914329D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.613303D+01  0.609648D+01  0.701265D+01  0.419962D+01  0.184913D+02
      2   0.495556D+01 -0.184813D+02 -0.113575D+02 -0.157725D+02 -0.103867D+02
      3  -0.110886D+02  0.123848D+02  0.434483D+01  0.115729D+02 -0.810464D+01
      4   0.772883D+01  0.623112D+01 -0.124543D+02  0.770589D+01 -0.286880D+01
      5   0.204206D+02 -0.127214D+02 -0.247153D+02 -0.125419D+02 -0.319068D+01
      6  -0.846230D+01 -0.698738D+01  0.115782D+02 -0.768118D+01 -0.576320D+01
                 6             7             8             9            10 
      1  -0.907609D+01  0.402533D+01 -0.110679D+02 -0.168966D+02 -0.281597D+01
      2  -0.435046D+00 -0.859917D+01  0.149226D+01  0.857376D+01 -0.167161D+00
      3   0.951114D+01  0.457384D+01  0.957566D+01  0.832282D+01  0.298313D+01
      4   0.715521D+01 -0.143364D+02  0.759333D+01  0.371241D+01 -0.156139D+02
      5   0.164542D+01 -0.238818D+02  0.568388D+01  0.781028D+01 -0.103433D+02
      6  -0.391129D+01  0.113702D+02 -0.303253D+01  0.552655D+01  0.700042D+01
                11            12            13            14            15 
      1  -0.919838D+01 -0.152852D+01 -0.110446D+01 -0.240533D+02  0.821614D+01
      2   0.109841D+02  0.894053D+00  0.304989D+01  0.105387D+02 -0.143274D+01
      3  -0.178567D+01  0.634466D+00 -0.194542D+01  0.135146D+02 -0.678339D+01
      4  -0.135640D+02  0.113191D+02 -0.174699D+02 -0.184889D+02 -0.730269D+01
      5   0.105206D+02  0.133960D+02  0.120590D+02 -0.215119D+01  0.537815D+01
      6  -0.636380D+01 -0.219387D+01 -0.260607D+01  0.943365D+01 -0.126396D+01
                16            17            18            19            20 
      1  -0.141584D+01  0.133882D+02  0.147292D+02  0.325661D+02  0.640396D+01
      2  -0.509570D+01 -0.347739D+01 -0.991066D+01 -0.150618D+02 -0.842914D+01
      3   0.651154D+01 -0.991085D+01 -0.481856D+01 -0.175044D+02  0.202518D+01
      4   0.172198D+02 -0.127056D+02  0.145721D+01  0.876388D+01 -0.603481D+01
      5   0.203149D+02  0.153398D+01  0.881741D+01 -0.537426D+01 -0.192464D+01
      6  -0.280962D+01 -0.110034D+01 -0.761298D+01 -0.669555D+01 -0.800134D+00
                21            22            23            24            25 
      1   0.528444D+01  0.349663D+01  0.195647D+01 -0.335639D+01  0.178085D+02
      2   0.237247D+01 -0.499286D+01 -0.625805D+01  0.774888D+00  0.726357D+01
      3  -0.765691D+01  0.149622D+01  0.430158D+01  0.258151D+01 -0.250720D+02
      4  -0.432558D+01 -0.793183D+01 -0.255343D+01  0.467903D+01 -0.110846D+02
      5  -0.647078D+01 -0.476354D+01  0.122154D+01  0.407012D+01 -0.161149D+02
      6   0.149956D+00 -0.191979D+01 -0.386039D+01  0.280416D+01 -0.163853D+01
                26            27            28            29            30 
      1  -0.797408D+01  0.114917D+02 -0.108064D+03  0.107400D+02 -0.124979D+02
      2   0.376110D+01  0.132218D+02  0.448067D+02 -0.560458D+01  0.435810D+01
      3   0.421298D+01 -0.247135D+02  0.632578D+02 -0.513545D+01  0.813985D+01
      4   0.899447D+01  0.197877D+01  0.180973D+02 -0.909367D+01  0.133194D+01
      5   0.503578D+01 -0.145375D+02 -0.221898D+01 -0.871798D+00 -0.900603D+01
      6   0.347247D+01  0.944442D+00  0.718450D+01  0.232825D+01  0.132056D+01
                31            32            33            34            35 
      1   0.437739D+02 -0.682461D+01  0.175265D+01 -0.388648D+02 -0.436850D+00
      2  -0.208237D+02  0.217365D+01  0.407652D+00  0.114932D+02  0.288323D+01
      3  -0.229503D+02  0.465097D+01 -0.216031D+01  0.273716D+02 -0.244638D+01
      4  -0.151882D+02 -0.313750D+01  0.102288D+01  0.783477D+01 -0.301525D+01
      5   0.652700D+01  0.219476D+01  0.266974D+01 -0.658585D+01 -0.183006D+00
      6   0.134337D+01  0.862108D+01 -0.102173D+01 -0.144797D+00  0.282760D+01
                36            37            38            39            40 
      1  -0.285649D+02  0.158012D+03 -0.246248D+02  0.271935D+02 -0.203267D+02
      2  -0.540668D+00 -0.686143D+02  0.102145D+02 -0.934302D+01  0.583342D+01
      3   0.291056D+02 -0.893982D+02  0.144103D+02 -0.178505D+02  0.144933D+02
      4   0.406718D+01 -0.473325D+02  0.145250D+02 -0.556235D+01  0.159205D+02
      5  -0.123765D+02  0.212173D+02 -0.182574D+01  0.189680D+02  0.352775D+01
      6   0.354768D+01 -0.863815D+01 -0.778153D+00 -0.288062D+01 -0.110249D+01
                41            42            43            44            45 
      1   0.120526D+02 -0.680647D+01  0.377430D+02 -0.867274D+01  0.824490D+01
      2  -0.107557D+02  0.208729D+01 -0.166511D+02  0.680171D+01 -0.768815D+01
      3  -0.129690D+01  0.471918D+01 -0.210919D+02  0.187104D+01 -0.556758D+00
      4   0.116698D+02 -0.460023D+01 -0.658341D+01 -0.535520D+01 -0.541699D+01
      5  -0.638843D+01 -0.280176D+01  0.278215D+02 -0.551809D+01  0.625528D+01
      6   0.378631D+01  0.409420D+01 -0.816792D+01  0.661519D+01  0.571065D+00
                46            47            48            49            50 
      1  -0.144763D+03  0.366304D+02 -0.238722D+02  0.453002D+02 -0.239561D+02
      2   0.648885D+02 -0.165494D+02  0.136915D+02 -0.284845D+02  0.607359D+01
      3   0.798742D+02 -0.200810D+02  0.101807D+02 -0.168156D+02  0.178825D+02
      4   0.665093D+02 -0.327756D+02  0.147955D+02 -0.366431D+02 -0.737782D+01
      5  -0.379032D+02  0.108520D+02 -0.234542D+02  0.191466D+02 -0.201363D+01
      6   0.145542D+02 -0.570851D+01  0.239561D+01  0.784739D-01  0.343813D+01
                51            52            53            54            55 
      1   0.117335D+02 -0.461223D+02  0.126610D+02 -0.150926D+02  0.154541D+03
      2  -0.103123D+02  0.219502D+02 -0.405335D+01  0.338374D+01 -0.752898D+02
      3  -0.142125D+01  0.241721D+02 -0.860770D+01  0.117089D+02 -0.792508D+02
      4  -0.196578D+01  0.269342D+02 -0.433294D+01  0.681250D+01 -0.655994D+02
      5   0.551241D+01 -0.101930D+02  0.477376D+01 -0.121186D+02  0.330772D+02
      6  -0.606416D+01  0.540196D+00  0.136983D+01  0.468388D+01 -0.735345D+01
                56            57            58            59            60 
      1  -0.401511D+02  0.242190D+02 -0.849421D+02  0.304423D+02 -0.122533D+02
      2   0.155551D+02 -0.152835D+02  0.339788D+02 -0.354986D+01  0.740570D+01
      3   0.245960D+02 -0.893545D+01  0.509633D+02 -0.268924D+02  0.484759D+01
      4   0.413510D+02 -0.114496D+02  0.682428D+02 -0.507383D+02  0.149504D+02
      5  -0.953073D+01  0.298650D+02 -0.209582D+02  0.124752D+02 -0.169820D+02
      6   0.368770D+01 -0.571249D+01  0.842356D+01 -0.555801D+01  0.115711D+02
                61            62            63            64            65 
      1   0.424972D+02 -0.682606D+01  0.239920D+02 -0.241143D+02  0.281318D+02
      2  -0.247272D+02  0.492991D+01 -0.188030D+02  0.707705D+01 -0.248800D+02
      3  -0.177701D+02  0.189615D+01 -0.518903D+01  0.170372D+02 -0.325181D+01
      4  -0.187076D+02  0.115969D+02 -0.208652D+02  0.228743D+02  0.621188D+01
      5   0.463426D+02 -0.196918D+02  0.297854D+02  0.139651D+02 -0.147330D+02
      6  -0.906613D+01  0.109295D+02 -0.790393D+01 -0.938664D+01  0.139583D+02
                66            67            68            69            70 
      1   0.102181D+02  0.206560D+02  0.284365D+02 -0.176629D+02  0.168015D+02
      2   0.535686D+01 -0.168781D+02 -0.252442D+02  0.112261D+02  0.487691D+01
      3  -0.155749D+02 -0.377786D+01 -0.319228D+01  0.643680D+01 -0.216784D+02
      4  -0.194441D+02  0.827996D+01  0.192417D+01  0.982865D+01 -0.250007D+02
      5  -0.176396D+02 -0.167644D+02  0.766931D+01 -0.103416D+02 -0.232763D+02
      6   0.621827D+01  0.120369D+02  0.374494D+00  0.330939D+01  0.834140D+01
                71            72            73            74            75 
      1  -0.200933D+02 -0.217693D+02  0.164291D-01 -0.123927D+02 -0.202806D+02
      2   0.104252D+02  0.229329D+02 -0.527170D+00  0.996185D+01  0.120939D+02
      3   0.966819D+01 -0.116352D+01  0.510741D+00  0.243085D+01  0.818669D+01
      4   0.131626D+02  0.223104D+01 -0.107828D+02  0.520827D+01 -0.135864D+01
      5  -0.465298D+01 -0.276842D+02 -0.101683D+02  0.305917D+01 -0.217127D+02
      6   0.299573D+01  0.687779D+01 -0.398983D+01  0.624326D+01 -0.710392D+01
                76            77            78            79            80 
      1  -0.155760D+02  0.167368D+02  0.662257D+01 -0.224473D+02  0.214319D+01
      2   0.160225D+02 -0.184012D+01 -0.502149D+01  0.132934D+02 -0.140473D+01
      3  -0.446522D+00 -0.148967D+02 -0.160108D+01  0.915393D+01 -0.738461D+00
      4   0.134400D+02  0.346399D+02  0.453275D+01  0.363201D+01  0.893833D+01
      5   0.951838D+01 -0.171858D+01 -0.112755D+02 -0.345026D+02 -0.144549D+02
      6   0.360679D+01 -0.615052D+00 -0.415189D+01 -0.126864D+02 -0.567905D+01
                81            82            83            84            85 
      1  -0.221478D+02 -0.179111D+02 -0.253106D-02  0.143771D+02  0.739443D+00
      2   0.147941D+02  0.160718D+02  0.587177D+01 -0.136081D+02  0.325823D+01
      3   0.735364D+01  0.183933D+01 -0.586924D+01 -0.769059D+00 -0.399767D+01
      4  -0.195247D+02  0.134119D+01  0.979382D+01  0.252777D+01  0.906949D+01
      5   0.959647D+01  0.627610D+01 -0.288461D+01  0.203357D+01 -0.559887D+01
      6   0.797268D+01  0.953758D+01 -0.609137D+01  0.334257D+01 -0.386200D+01
                86            87            88            89            90 
      1   0.944106D+01  0.501231D+01  0.167177D+02  0.100689D+02  0.147037D+02
      2  -0.456166D+01 -0.876340D+01 -0.161209D+02 -0.164477D+02 -0.165393D+02
      3  -0.487940D+01  0.375109D+01 -0.596789D+00  0.637880D+01  0.183555D+01
      4  -0.283105D+01 -0.125928D+02  0.673736D+00 -0.179534D+02 -0.257687D+01
      5  -0.644616D+01 -0.401275D+01  0.358222D+01 -0.517127D+01 -0.524510D+00
      6  -0.165005D+02 -0.142752D+02  0.352251D+01 -0.192009D+02 -0.276123D+01
                91            92            93            94            95 
      1  -0.557751D+02 -0.280069D+02 -0.143230D+02 -0.122594D+02  0.191998D+02
      2   0.235900D+02  0.215398D+02  0.108121D+02  0.132159D+02 -0.542272D+01
      3   0.321852D+02  0.646710D+01  0.351091D+01 -0.956513D+00 -0.137770D+02
      4  -0.252194D+02  0.134375D+02 -0.469355D+01  0.198038D+02  0.137560D+02
      5  -0.123403D+02 -0.169020D+01  0.117920D+02 -0.228867D+01 -0.797648D+01
      6  -0.613805D+01  0.178822D+01  0.727113D+01 -0.240435D+00 -0.807883D+01
                96            97            98            99           100 
      1   0.263171D+01 -0.210902D+02  0.669171D+00  0.207571D+02  0.513556D+02
      2  -0.705594D+01  0.116133D+02 -0.950188D+01 -0.862432D+01 -0.265784D+02
      3   0.442423D+01  0.947692D+01  0.883271D+01 -0.121327D+02 -0.247772D+02
      4  -0.638175D+01 -0.650344D+01 -0.623966D+01 -0.126683D+02  0.227592D+02
      5  -0.976196D+01  0.541179D+01 -0.152370D+02  0.250078D+02  0.233469D+02
      6  -0.399427D+01  0.306722D+01 -0.105212D+02  0.127556D+02  0.567591D+01
               101           102           103           104           105 
      1   0.911396D+01  0.194300D+02  0.351662D+01  0.519372D+01 -0.317063D+00
      2  -0.283975D+01 -0.107567D+02  0.785865D-01 -0.160805D+01  0.163538D+01
      3  -0.627420D+01 -0.867328D+01 -0.359521D+01 -0.358567D+01 -0.131831D+01
      4   0.125582D+02  0.778102D+01  0.109544D+02  0.399414D+01  0.571722D+01
      5   0.363992D+01  0.183735D+02  0.171623D+01  0.593897D+01  0.316386D+01
      6   0.178978D+01  0.520471D+01  0.231873D+01  0.254420D+01  0.380310D+01
               106           107           108           109           110 
      1   0.298365D+02  0.279320D+01  0.170652D+02  0.224867D+02  0.840813D+01
      2  -0.172266D+02  0.633504D+00 -0.127738D+02 -0.127846D+02 -0.386405D+01
      3  -0.126099D+02 -0.342670D+01 -0.429138D+01 -0.970212D+01 -0.454408D+01
      4   0.131835D+02  0.101189D+02  0.116707D+02  0.177719D+02  0.103357D+02
      5   0.257860D+02  0.723453D+01  0.209267D+02 -0.174262D+02 -0.710657D+01
      6   0.750330D+01  0.466822D+01  0.630478D+01 -0.752786D+01 -0.436477D+01
               111           112           113           114           115 
      1  -0.878838D+01  0.648797D+01 -0.600872D+00 -0.989340D+00 -0.149704D+02
      2   0.599889D+01 -0.200751D+01  0.340987D+01 -0.938243D+00  0.113089D+02
      3   0.278949D+01 -0.448046D+01 -0.280900D+01  0.192758D+01  0.366153D+01
      4  -0.922596D+01  0.131909D+02  0.108172D+02 -0.115151D+02 -0.183079D+02
      5   0.179063D+02 -0.790145D+01 -0.102182D+02  0.947591D+01  0.303204D+02
      6   0.634092D+01 -0.627556D+01 -0.732256D+01  0.860687D+01  0.130191D+02
               116           117           118           119           120 
      1  -0.224853D+01  0.848305D+01 -0.988608D+00  0.471772D-01 -0.966716D+00
      2  -0.286213D+00 -0.135110D+02 -0.572215D+01  0.104259D+01 -0.424556D+01
      3   0.253474D+01  0.502796D+01  0.671076D+01 -0.108976D+01  0.521228D+01
      4  -0.177416D+02  0.188544D+02 -0.675766D+00  0.384905D+01  0.504209D+00
      5   0.145709D+02 -0.360806D+02  0.817439D+01 -0.890651D+00  0.113030D+02
      6   0.111681D+02 -0.173646D+02  0.227498D+00  0.116489D+01  0.185537D+00
               121           122           123           124           125 
      1   0.507561D+01 -0.449491D+01  0.257980D+01 -0.809879D+01  0.916505D+00
      2  -0.125175D+01 -0.555388D+00  0.143315D+01 -0.542275D+01  0.308447D+01
      3  -0.382386D+01  0.505030D+01 -0.401295D+01  0.135215D+02 -0.400098D+01
      4   0.387639D+01  0.244735D+00  0.313046D+01  0.134555D+01  0.336690D+01
      5  -0.121089D+01  0.321883D+01 -0.199558D+01  0.157845D+02 -0.282488D+01
      6   0.176435D+01 -0.143263D+01  0.676544D+01  0.145413D+01  0.459235D+01
               126           127           128           129           130 
      1  -0.237762D+02 -0.374647D+01  0.699335D+01 -0.553528D+01  0.462445D+01
      2  -0.187528D+02  0.338768D+01 -0.908574D+01  0.488861D+01 -0.557698D+01
      3   0.425290D+02  0.358798D+00  0.209239D+01  0.646672D+00  0.952522D+00
      4  -0.646987D+00 -0.524988D+01  0.583984D+00 -0.257457D+01  0.167174D+01
      5   0.229828D+02 -0.615525D+00  0.544014D+00 -0.598446D+00  0.467728D+00
      6   0.711581D+00 -0.610739D+01  0.376601D+01 -0.547158D+01  0.265693D+01
               131           132           133           134           135 
      1  -0.131654D+02  0.532207D+01 -0.868475D+01  0.899468D+01 -0.137311D+02
      2   0.155784D+02 -0.553918D+01  0.591763D+01 -0.100804D+02  0.929046D+01
      3  -0.241297D+01  0.217109D+00  0.276713D+01  0.108576D+01  0.444060D+01
      4   0.396085D+00  0.758100D+00 -0.491600D+01 -0.427659D+00 -0.784216D+00
      5  -0.927979D+00  0.168326D+01 -0.232687D+00  0.269529D+01 -0.423834D+01
      6  -0.528782D+01  0.865279D+01 -0.470742D+01  0.114077D+02 -0.132503D+02
               136           137           138           139           140 
      1  -0.123833D+01  0.400098D+01  0.964944D+00  0.215607D+01 -0.306392D+02
      2   0.292067D+01 -0.227504D+01  0.155719D+00  0.384826D+00  0.409245D+02
      3  -0.168234D+01 -0.172595D+01 -0.112066D+01 -0.254090D+01 -0.102853D+02
      4   0.525192D+01  0.788621D+01  0.362008D+01  0.768856D+01  0.207488D+02
      5   0.139062D+01  0.317683D+01  0.358191D+01  0.255108D+01  0.915741D+01
      6   0.397551D+01  0.850556D+00 -0.353100D+00  0.186085D+01  0.266081D+02
               141           142           143           144           145 
      1  -0.147967D+02 -0.207777D-01 -0.204648D+02 -0.181125D+02 -0.841804D+01
      2   0.165873D+02  0.209190D+01  0.214714D+02  0.128055D+02  0.733333D+01
      3  -0.179055D+01 -0.207113D+01 -0.100658D+01  0.530700D+01  0.108471D+01
      4   0.985703D+01  0.519516D+01  0.141214D+02  0.911507D+01  0.269777D+01
      5   0.623224D+01  0.328169D+01  0.961215D+01  0.878355D+01  0.374270D+01
      6   0.188370D+02  0.849313D+00  0.248667D+02  0.218305D+02  0.646969D+01
               146           147           148           149           150 
      1  -0.104338D+02 -0.599472D+01 -0.829264D+01 -0.215273D+02 -0.648554D+01
      2   0.117127D+02  0.183380D+01  0.103773D+02  0.249440D+02  0.186445D+01
      3  -0.127885D+01  0.416092D+01 -0.208463D+01 -0.341668D+01  0.462109D+01
      4   0.428734D+00  0.126378D+01  0.219212D+01 -0.618050D+01 -0.234500D+01
      5   0.484632D+01  0.276591D+01  0.629707D+01  0.279199D+01 -0.210363D+01
      6   0.931125D+01  0.358599D+01  0.685231D+01  0.177877D+02  0.900387D+01
               151           152           153           154           155 
      1  -0.170737D+01 -0.170652D+01 -0.287416D+01 -0.705571D+01  0.287230D+01
      2  -0.245192D+00 -0.162510D+01  0.166314D+01 -0.162502D+01  0.267654D+01
      3   0.195256D+01  0.333162D+01  0.121103D+01  0.868072D+01 -0.554884D+01
      4   0.120602D+01  0.177760D+00 -0.722842D+00  0.277788D+01 -0.276272D+01
      5   0.282175D+01 -0.884479D+00  0.285746D+00  0.213720D+01 -0.913752D+00
      6   0.162119D+01  0.547655D+01  0.262671D+01 -0.238940D+01  0.529621D+01
               156           157           158           159           160 
      1  -0.847740D+01  0.417596D+01 -0.928188D+01  0.980717D+01 -0.468187D+01
      2  -0.187086D+01  0.152747D+01  0.148094D+01  0.427221D+01 -0.154131D+01
      3   0.103483D+02 -0.570344D+01  0.780094D+01 -0.140794D+02  0.622318D+01
      4   0.310446D+01 -0.309689D+01  0.748867D+01 -0.422295D+01  0.304495D+01
      5   0.369002D+01 -0.191162D+01  0.702420D+00  0.351245D+01  0.491236D+01
      6  -0.286662D+01  0.443034D+01 -0.922236D+01  0.590369D+01 -0.320114D+01
               161           162           163           164           165 
      1   0.625306D+01 -0.104066D+02  0.167335D+02 -0.186816D+01 -0.384147D+01
      2   0.256315D+01 -0.674643D+01 -0.175950D+02  0.328245D+01  0.149445D+02
      3  -0.881622D+01  0.171530D+02  0.861553D+00 -0.141429D+01 -0.111030D+02
      4  -0.316614D+01  0.389778D+01 -0.134143D+02  0.971163D+01  0.986967D+01
      5   0.112409D+00 -0.225172D+01 -0.329345D+02  0.104443D+02  0.301429D+02
      6   0.602928D+01 -0.485224D+01  0.849060D+01 -0.710581D+01 -0.965830D+01
               166           167           168           169           170 
      1  -0.126356D+01 -0.166822D+01 -0.117649D+01 -0.357155D+01 -0.924219D+00
      2   0.189654D+01  0.162721D-01 -0.414404D+00  0.128308D+02 -0.207958D+01
      3  -0.632980D+00  0.165195D+01  0.159089D+01 -0.925927D+01  0.300380D+01
      4   0.776491D+01 -0.615606D+01 -0.744462D+01  0.826097D+01 -0.633409D+01
      5   0.668470D+01 -0.785461D+01 -0.614681D+01  0.250951D+02 -0.868898D+01
      6  -0.531899D+01  0.645390D+01  0.836091D+01 -0.789688D+01  0.759478D+01
               171           172           173           174           175 
      1  -0.258458D+01  0.164277D+02 -0.230418D+01  0.103337D+02  0.441000D+01
      2  -0.170296D+02 -0.122306D+02  0.119443D+01 -0.111079D+02 -0.318914D+01
      3   0.196142D+02 -0.419701D+01  0.110976D+01  0.774216D+00 -0.122086D+01
      4  -0.875283D+01 -0.603901D+01  0.315472D+01 -0.160612D+01  0.103599D+01
      5  -0.301483D+02  0.152807D+02  0.996150D+00  0.194109D+02  0.581486D+01
      6   0.109653D+02 -0.342455D+01  0.153451D+00 -0.558160D+01 -0.263481D+00
               176           177           178           179           180 
      1  -0.176377D+01  0.467471D+01  0.126252D+02  0.249481D+01  0.834218D+01
      2  -0.507771D+00 -0.721635D+01 -0.140757D+02 -0.472103D+01 -0.242587D+02
      3   0.227154D+01  0.254165D+01  0.145046D+01  0.222622D+01  0.159165D+02
      4   0.385443D+01  0.477552D+01 -0.455133D+01  0.833506D+01 -0.480997D+01
      5   0.533660D+01  0.820366D+01  0.262112D+02 -0.911140D+00  0.466978D+02
      6  -0.141189D+00  0.201524D+01 -0.811432D+01  0.530253D+01 -0.165927D+02
               181           182           183           184           185 
      1  -0.966188D+01 -0.204742D+02  0.208972D+01 -0.144217D+02 -0.345624D+02
      2   0.990464D+01  0.221050D+02 -0.241808D+01  0.114079D+02  0.468945D+02
      3  -0.242760D+00 -0.163079D+01  0.328364D+00  0.301379D+01 -0.123321D+02
      4   0.412221D+00 -0.588948D+01  0.311410D+01  0.445424D+01 -0.268431D+02
      5  -0.316455D+01  0.138063D+01 -0.715159D+00 -0.706929D+00  0.220621D+01
      6  -0.139602D+01 -0.621797D+01  0.426310D+01 -0.276070D+01 -0.121451D+02
               186           187           188           189           190 
      1   0.673915D+01 -0.367232D+00  0.689999D+01 -0.431571D+01  0.611960D+02
      2  -0.611383D+01 -0.126430D+01 -0.484817D+01  0.350130D+01 -0.239648D+02
      3  -0.625318D+00  0.163153D+01 -0.205182D+01  0.814415D+00 -0.372312D+02
      4   0.344452D+01  0.242427D+01  0.131413D+01 -0.373394D+01 -0.402943D+02
      5  -0.386943D+01  0.261966D+01 -0.408225D+01  0.426023D+01 -0.143402D+02
      6   0.830753D+01  0.109283D+01  0.854915D+01 -0.443943D+01  0.713307D+01
               191           192           193           194           195 
      1  -0.198001D+02 -0.146329D+02 -0.120312D+02  0.595150D+01  0.389232D+01
      2   0.417764D+01  0.487613D+01  0.221184D+00  0.469360D+01  0.171593D+00
      3   0.156224D+02  0.975681D+01  0.118101D+02 -0.106451D+02 -0.406391D+01
      4   0.231356D+02  0.102768D+02  0.199712D+02 -0.169269D+02 -0.734306D+01
      5   0.561299D+01  0.146496D+02  0.486821D+01 -0.547754D+01 -0.234843D+01
      6  -0.388971D+01 -0.691073D+01 -0.381798D+01  0.238773D+01  0.312809D+01
               196           197           198           199           200 
      1  -0.256125D+02  0.833056D+01  0.131882D+02 -0.121888D+01  0.141889D+01
      2   0.862565D+01  0.122539D+00 -0.769065D+01  0.125528D+00 -0.515016D-01
      3   0.169868D+02 -0.845309D+01 -0.549752D+01  0.109335D+01 -0.136739D+01
      4   0.205514D+02 -0.160016D+02 -0.990635D+01  0.323629D+01  0.514763D+01
      5   0.181110D+02 -0.639137D+01 -0.125471D+02 -0.113427D+01 -0.196732D+01
      6  -0.850239D+01  0.451297D+01  0.698612D+01 -0.243295D+01 -0.804172D+00
               201           202           203           204           205 
      1  -0.127916D+01  0.170432D+01 -0.132308D+02  0.572774D+01 -0.110671D+01
      2   0.507073D+00 -0.523415D+00  0.135486D+02 -0.242216D+01  0.253049D+01
      3   0.772083D+00 -0.118090D+01 -0.317894D+00 -0.330558D+01 -0.142378D+01
      4  -0.119849D+01  0.533647D+01  0.900144D+01 -0.298872D+01 -0.136778D+01
      5   0.134764D+01 -0.245536D+01 -0.379674D+01  0.245206D+01  0.164796D+01
      6   0.568682D+00 -0.618457D+00 -0.110798D+02  0.646588D+01  0.215312D+01
               206           207           208           209           210 
      1   0.458210D+01 -0.156474D+01 -0.698831D+00 -0.245068D+01  0.662831D+00
      2  -0.236913D+01  0.109633D+01  0.270670D+01  0.167817D+01 -0.318634D+00
      3  -0.221297D+01  0.468410D+00 -0.200787D+01  0.772512D+00 -0.344197D+00
      4  -0.153387D+01  0.451735D+00 -0.204223D+01  0.446468D+01 -0.937868D+00
      5   0.165641D+01 -0.241124D+00  0.976016D+00 -0.423926D+00  0.684718D+00
      6   0.487218D+01 -0.365275D+01 -0.709700D+00  0.930092D+00  0.705352D-01
               211           212           213           214           215 
      1  -0.474269D+01 -0.203765D+02  0.310431D+01  0.230126D+01  0.444712D+01
      2   0.230089D+01  0.263194D+02 -0.294247D+01 -0.246007D+00 -0.464746D+01
      3   0.244181D+01 -0.594297D+01 -0.161848D+00 -0.205525D+01  0.200346D+00
      4   0.310474D+01 -0.194086D+02  0.288493D+01 -0.150938D+01  0.479126D+01
      5  -0.463714D+00  0.225029D+01 -0.260316D+01 -0.872087D+00 -0.214717D+01
      6   0.470373D+00 -0.164702D+01  0.469894D+01  0.157827D+01  0.377768D+01
               216           217           218           219           220 
      1  -0.400307D+01  0.514075D+01  0.684712D+01 -0.668161D+01  0.499866D+01
      2   0.336107D+01 -0.371788D+01 -0.512525D+01  0.235854D+01 -0.262631D+01
      3   0.642001D+00 -0.142287D+01 -0.172186D+01  0.432307D+01 -0.237235D+01
      4  -0.249826D+01  0.299554D+01 -0.278802D+01 -0.125434D+01  0.193227D+01
      5   0.150235D+01 -0.369303D+01  0.310303D+00 -0.382383D+00 -0.350843D+00
      6  -0.228217D+01 -0.265118D+01  0.108482D+01 -0.257372D+01 -0.104468D+01
               221           222           223           224           225 
      1  -0.834381D+01  0.510927D+01 -0.839242D+01  0.471803D+01 -0.172085D+02
      2   0.642182D+01 -0.407434D+01  0.414493D+01 -0.281898D+01 -0.376156D+01
      3   0.192198D+01 -0.103493D+01  0.424749D+01 -0.189904D+01  0.209701D+02
      4   0.779566D+01 -0.698497D+01 -0.909384D+01 -0.149466D+02  0.133853D+02
      5  -0.752060D+01  0.860840D+01  0.826440D+01  0.154838D+02 -0.438166D+02
      6  -0.603065D+01  0.965962D+01  0.272038D+01  0.130285D+02 -0.235956D+02
               226           227           228           229           230 
      1   0.865022D+02  0.202491D+02  0.611824D+01  0.930776D+01  0.944766D+01
      2  -0.392640D+02 -0.556873D+01 -0.280451D+01 -0.118778D+00 -0.122771D+01
      3  -0.472382D+02 -0.146803D+02 -0.331372D+01 -0.918898D+01 -0.821995D+01
      4   0.428334D+02  0.223385D+02  0.330336D+01  0.167350D+02  0.104411D+02
      5   0.323051D+01  0.102978D+01  0.119782D+02  0.993915D+00  0.225916D+01
      6   0.295242D+01  0.538763D+00  0.407384D+01  0.235819D+00  0.139823D+01
               231           232           233           234           235 
      1   0.444646D+00  0.116089D+02  0.254151D+01  0.795500D+01 -0.661382D+01
      2   0.106997D+01 -0.552967D+01  0.440574D+00 -0.463760D+01  0.636113D+01
      3  -0.151462D+01 -0.607925D+01 -0.298208D+01 -0.331740D+01  0.252684D+00
      4   0.277037D+01  0.681383D+01  0.520886D+01  0.689200D+01 -0.198224D+00
      5   0.252665D+01  0.125263D+02  0.530809D+01  0.247918D+01  0.497576D+01
      6   0.228040D+01  0.420827D+01  0.325870D+01  0.733456D+00  0.410158D+01
               236           237           238           239           240 
      1   0.152058D+02  0.953521D+01  0.146112D+02 -0.220470D+02 -0.845895D+01
      2  -0.149680D+02 -0.639764D+01 -0.985575D+01  0.272728D+02  0.976457D+01
      3  -0.237737D+00 -0.313757D+01 -0.475548D+01 -0.522574D+01 -0.130562D+01
      4  -0.866553D+01  0.287558D+00  0.147880D+01  0.203280D+02  0.673518D+01
      5  -0.191479D+01 -0.533911D+01 -0.225611D+01  0.825813D+01  0.910817D+01
      6  -0.377978D+01 -0.526305D+01 -0.201240D+01  0.886535D+01  0.826968D+01
               241           242           243 
      1   0.108199D+02 -0.949625D+01 -0.138073D+02
      2  -0.556495D+01  0.117430D+02  0.874039D+01
      3  -0.525493D+01 -0.224674D+01  0.506696D+01
      4   0.364224D+01  0.120338D+02  0.838141D+01
      5  -0.167614D+01  0.107274D+02  0.792887D+01
      6  -0.251679D+01  0.109979D+02  0.828349D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 12:22:27 2021, MaxMem=  5637144576 cpu:           32603.9 elap:            4113.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.44981 -10.53222 -10.46804 -10.45914 -10.45375
 Alpha  occ. eigenvalues --  -10.44760 -10.44161 -10.44144 -10.43877 -10.43356
 Alpha  occ. eigenvalues --  -10.43246  -1.16566  -1.01387  -0.93808  -0.88588
 Alpha  occ. eigenvalues --   -0.86788  -0.82530  -0.81246  -0.74697  -0.72106
 Alpha  occ. eigenvalues --   -0.65874  -0.64313  -0.60812  -0.59842  -0.59331
 Alpha  occ. eigenvalues --   -0.56790  -0.56135  -0.54883  -0.53732  -0.52461
 Alpha  occ. eigenvalues --   -0.51014  -0.50632  -0.49280  -0.48556  -0.47913
 Alpha  occ. eigenvalues --   -0.46773  -0.44331  -0.42942  -0.42154  -0.40288
 Alpha  occ. eigenvalues --   -0.36692  -0.36246
 Alpha virt. eigenvalues --    0.02121   0.04051   0.05691   0.06098   0.06779
 Alpha virt. eigenvalues --    0.07992   0.08929   0.09243   0.10727   0.11101
 Alpha virt. eigenvalues --    0.11620   0.12828   0.13217   0.13611   0.14833
 Alpha virt. eigenvalues --    0.15177   0.15491   0.16407   0.16970   0.17629
 Alpha virt. eigenvalues --    0.17800   0.18721   0.19634   0.20773   0.20895
 Alpha virt. eigenvalues --    0.21174   0.21402   0.21968   0.22773   0.24006
 Alpha virt. eigenvalues --    0.24200   0.25309   0.25963   0.26077   0.26902
 Alpha virt. eigenvalues --    0.27501   0.28204   0.28877   0.29394   0.30622
 Alpha virt. eigenvalues --    0.31121   0.31409   0.31829   0.32607   0.33353
 Alpha virt. eigenvalues --    0.33604   0.33666   0.34287   0.35319   0.35551
 Alpha virt. eigenvalues --    0.36090   0.36381   0.36861   0.37280   0.37649
 Alpha virt. eigenvalues --    0.37897   0.38265   0.38571   0.38657   0.39090
 Alpha virt. eigenvalues --    0.39629   0.40078   0.40391   0.40861   0.40976
 Alpha virt. eigenvalues --    0.41828   0.42186   0.42559   0.42846   0.43643
 Alpha virt. eigenvalues --    0.44227   0.44727   0.44898   0.45678   0.46097
 Alpha virt. eigenvalues --    0.46333   0.47087   0.47398   0.47506   0.47833
 Alpha virt. eigenvalues --    0.48031   0.48623   0.49739   0.50074   0.50528
 Alpha virt. eigenvalues --    0.50971   0.51168   0.51585   0.51877   0.52229
 Alpha virt. eigenvalues --    0.52900   0.53579   0.54341   0.54849   0.54995
 Alpha virt. eigenvalues --    0.55452   0.55751   0.56385   0.56652   0.57237
 Alpha virt. eigenvalues --    0.57316   0.58159   0.58689   0.59359   0.60362
 Alpha virt. eigenvalues --    0.60820   0.60982   0.61774   0.61932   0.62747
 Alpha virt. eigenvalues --    0.63242   0.64062   0.64698   0.64825   0.65387
 Alpha virt. eigenvalues --    0.65765   0.66335   0.67254   0.67644   0.68223
 Alpha virt. eigenvalues --    0.68987   0.69676   0.70334   0.71266   0.71975
 Alpha virt. eigenvalues --    0.72148   0.73805   0.73922   0.75685   0.75851
 Alpha virt. eigenvalues --    0.75874   0.76779   0.77977   0.79020   0.79971
 Alpha virt. eigenvalues --    0.80279   0.81080   0.81494   0.82548   0.83630
 Alpha virt. eigenvalues --    0.84241   0.84873   0.86791   0.88359   0.89390
 Alpha virt. eigenvalues --    0.92909   0.97408   0.98369   0.99469   1.00690
 Alpha virt. eigenvalues --    1.01581   1.02612   1.03968   1.04250   1.05125
 Alpha virt. eigenvalues --    1.05419   1.06631   1.06926   1.08320   1.08566
 Alpha virt. eigenvalues --    1.09308   1.09886   1.11098   1.11420   1.12661
 Alpha virt. eigenvalues --    1.12955   1.14033   1.14452   1.16169   1.18107
 Alpha virt. eigenvalues --    1.19195   1.22447   1.23266   1.24932   1.25133
 Alpha virt. eigenvalues --    1.26301   1.28147   1.29554   1.30635   1.31723
 Alpha virt. eigenvalues --    1.31994   1.33686   1.33803   1.35981   1.36692
 Alpha virt. eigenvalues --    1.38929   1.40128   1.42227   1.43344   1.43767
 Alpha virt. eigenvalues --    1.45125   1.46907   1.48443   1.49970   1.51407
 Alpha virt. eigenvalues --    1.54636   1.55695   1.58447   1.61457   1.61943
 Alpha virt. eigenvalues --    1.64087   1.64336   1.67232   1.69384   1.70297
 Alpha virt. eigenvalues --    1.71649   1.73320   1.74073   1.75166   1.76536
 Alpha virt. eigenvalues --    1.78219   1.79052   1.80645   1.83346   1.84450
 Alpha virt. eigenvalues --    1.84859   1.87409   1.88266   1.89595   1.92086
 Alpha virt. eigenvalues --    1.92547   1.93827   1.95249   1.95911   1.97691
 Alpha virt. eigenvalues --    1.98517   1.99829   2.01350   2.02121   2.03183
 Alpha virt. eigenvalues --    2.04679   2.07118   2.07925   2.09670   2.10249
 Alpha virt. eigenvalues --    2.10970   2.12633   2.13764   2.14300   2.14958
 Alpha virt. eigenvalues --    2.15253   2.17485   2.18797   2.18937   2.22169
 Alpha virt. eigenvalues --    2.24118   2.25533   2.26966   2.27666   2.29149
 Alpha virt. eigenvalues --    2.29985   2.32262   2.32377   2.34310   2.34860
 Alpha virt. eigenvalues --    2.36095   2.36830   2.38151   2.39764   2.41705
 Alpha virt. eigenvalues --    2.44402   2.47237   2.48217   2.49706   2.50802
 Alpha virt. eigenvalues --    2.52103   2.54615   2.56151   2.58568   2.59606
 Alpha virt. eigenvalues --    2.62086   2.63170   2.63951   2.66183   2.68362
 Alpha virt. eigenvalues --    2.70378   2.71656   2.74703   2.75064   2.77549
 Alpha virt. eigenvalues --    2.78968   2.80824   2.83539   2.84911   2.89687
 Alpha virt. eigenvalues --    2.94190   2.96990   3.00247   3.01636   3.02270
 Alpha virt. eigenvalues --    3.06260   3.08956   3.11117   3.12054   3.14903
 Alpha virt. eigenvalues --    3.15826   3.20170   3.22226   3.22721   3.23499
 Alpha virt. eigenvalues --    3.25636   3.28321   3.29327   3.29827   3.31056
 Alpha virt. eigenvalues --    3.36433   3.46769   3.55419   3.90302
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.107522  -0.420638  -0.027765  -0.143745   0.007402   0.000532
     2  C   -0.420638  11.033573  -0.374607   0.052420   0.020963   0.008454
     3  C   -0.027765  -0.374607   6.575080  -0.754590   0.079326   0.036837
     4  C   -0.143745   0.052420  -0.754590   8.731409  -0.454048   0.016225
     5  C    0.007402   0.020963   0.079326  -0.454048   8.921671  -1.118911
     6  C    0.000532   0.008454   0.036837   0.016225  -1.118911   6.774183
     7  O   -0.000159   0.002020  -0.008204   0.097278  -0.165651   0.638727
     8  C   -0.234971  -0.638213  -0.050785  -0.005735  -0.009133   0.000118
     9  C    0.014420  -0.328081   0.064835  -0.017593  -0.007272   0.000547
    10  C   -0.057305   0.079361  -0.020377   0.030206  -0.127192   0.011547
    11  C   -0.001252   0.004036   0.009190  -0.069307  -0.049442   0.510361
    12  H    0.081647  -0.008863   0.060262  -0.011572   0.006103   0.000033
    13  H   -0.128331  -0.091603   0.027532  -0.009053   0.002838  -0.000125
    14  H    0.069972  -0.030878   0.023264  -0.186155   0.086489  -0.004934
    15  H    0.024348   0.111995   0.087287  -0.161946   0.053982  -0.002428
    16  H   -0.016428  -0.110213   0.067065   0.043543  -0.046053   0.003766
    17  H   -0.137268   0.187118  -0.021613   0.041928   0.000799  -0.000247
    18  H    0.270489   0.256117  -0.107182  -0.034607  -0.008244  -0.006598
    19  H   -0.029448   0.187477   0.024309  -0.002890   0.001772   0.000681
    20  H   -0.009146  -0.057380  -0.061382  -0.000847  -0.001708   0.000010
    21  H    0.006968   0.197353   0.039797  -0.008673   0.001188   0.000518
    22  H    0.039039   0.176616   0.026571   0.002629   0.000062   0.000005
    23  H    0.053236  -0.059600  -0.192927  -0.612408  -0.567426  -0.158050
    24  H    0.006258  -0.022416   0.030747  -0.556200   0.054543  -0.432025
    25  H   -0.000237   0.000672  -0.002680   0.007518  -0.088093   0.098317
    26  H    0.000077  -0.000210   0.000819   0.021042   0.050190   0.117015
    27  H    0.000488   0.001345  -0.002858   0.007744  -0.058651   0.064351
               7          8          9         10         11         12
     1  C   -0.000159  -0.234971   0.014420  -0.057305  -0.001252   0.081647
     2  C    0.002020  -0.638213  -0.328081   0.079361   0.004036  -0.008863
     3  C   -0.008204  -0.050785   0.064835  -0.020377   0.009190   0.060262
     4  C    0.097278  -0.005735  -0.017593   0.030206  -0.069307  -0.011572
     5  C   -0.165651  -0.009133  -0.007272  -0.127192  -0.049442   0.006103
     6  C    0.638727   0.000118   0.000547   0.011547   0.510361   0.000033
     7  O    7.707913  -0.000010  -0.000138   0.002716  -0.032009  -0.000015
     8  C   -0.000010   5.687795  -0.155693   0.058899   0.000344  -0.121536
     9  C   -0.000138  -0.155693   5.022722   0.153001   0.000112   0.161429
    10  C    0.002716   0.058899   0.153001   5.064486   0.001557  -0.163843
    11  C   -0.032009   0.000344   0.000112   0.001557   4.480641  -0.000011
    12  H   -0.000015  -0.121536   0.161429  -0.163843  -0.000011   1.462714
    13  H   -0.000013   0.116534   0.069918   0.160443   0.000014  -0.509376
    14  H   -0.001741  -0.123050   0.119976  -0.278135  -0.002399   0.064884
    15  H    0.000185  -0.011311  -0.019515  -0.030132   0.000293   0.133702
    16  H    0.000097  -0.000961  -0.003388   0.391687   0.000155  -0.201038
    17  H   -0.000098   0.001309   0.017813  -0.002447  -0.000987  -0.004783
    18  H    0.000416  -0.019991  -0.040441  -0.002284  -0.000238   0.003653
    19  H   -0.000118   0.034612   0.004356   0.000053   0.000135  -0.004117
    20  H    0.000001   0.545199  -0.045554   0.024881   0.000009  -0.026924
    21  H   -0.000046  -0.070669   0.011422  -0.011003  -0.000133   0.005507
    22  H   -0.000000  -0.096101   0.044895  -0.009874  -0.000016  -0.006108
    23  H    0.023780  -0.028310   0.004400   0.011060  -0.084915   0.002377
    24  H   -0.088730  -0.001497   0.002442  -0.004225  -0.004795   0.001517
    25  H    0.004719   0.000012   0.000024   0.000363   0.251449  -0.000001
    26  H   -0.038699  -0.000009  -0.000001  -0.000061   0.318174   0.000000
    27  H    0.007202   0.000066   0.000039   0.000233   0.244706   0.000002
              13         14         15         16         17         18
     1  C   -0.128331   0.069972   0.024348  -0.016428  -0.137268   0.270489
     2  C   -0.091603  -0.030878   0.111995  -0.110213   0.187118   0.256117
     3  C    0.027532   0.023264   0.087287   0.067065  -0.021613  -0.107182
     4  C   -0.009053  -0.186155  -0.161946   0.043543   0.041928  -0.034607
     5  C    0.002838   0.086489   0.053982  -0.046053   0.000799  -0.008244
     6  C   -0.000125  -0.004934  -0.002428   0.003766  -0.000247  -0.006598
     7  O   -0.000013  -0.001741   0.000185   0.000097  -0.000098   0.000416
     8  C    0.116534  -0.123050  -0.011311  -0.000961   0.001309  -0.019991
     9  C    0.069918   0.119976  -0.019515  -0.003388   0.017813  -0.040441
    10  C    0.160443  -0.278135  -0.030132   0.391687  -0.002447  -0.002284
    11  C    0.000014  -0.002399   0.000293   0.000155  -0.000987  -0.000238
    12  H   -0.509376   0.064884   0.133702  -0.201038  -0.004783   0.003653
    13  H    1.790901  -0.028910  -0.230315   0.099838   0.008431  -0.027771
    14  H   -0.028910   1.573408   0.086760  -0.167902  -0.010249   0.002194
    15  H   -0.230315   0.086760   1.391035  -0.410969  -0.008239  -0.001157
    16  H    0.099838  -0.167902  -0.410969   1.789310   0.002344  -0.004170
    17  H    0.008431  -0.010249  -0.008239   0.002344   0.969554  -0.013327
    18  H   -0.027771   0.002194  -0.001157  -0.004170  -0.013327   0.958034
    19  H    0.016117  -0.002609   0.008538   0.001868  -0.195806  -0.197695
    20  H    0.009783  -0.040462  -0.001038   0.002160   0.000194  -0.003249
    21  H   -0.001352  -0.002035  -0.000562   0.000568   0.022756   0.000141
    22  H   -0.001376   0.011543  -0.000830   0.000214  -0.017094   0.000507
    23  H    0.000582  -0.078417  -0.003799  -0.009254   0.003251   0.020129
    24  H   -0.001524   0.001167   0.021406  -0.031241   0.002211   0.003645
    25  H    0.000001  -0.000942  -0.000026   0.000044  -0.000039  -0.000110
    26  H   -0.000000   0.000107  -0.000004  -0.000006   0.000010   0.000032
    27  H    0.000001  -0.000090  -0.000008   0.000016  -0.000373  -0.000353
              19         20         21         22         23         24
     1  C   -0.029448  -0.009146   0.006968   0.039039   0.053236   0.006258
     2  C    0.187477  -0.057380   0.197353   0.176616  -0.059600  -0.022416
     3  C    0.024309  -0.061382   0.039797   0.026571  -0.192927   0.030747
     4  C   -0.002890  -0.000847  -0.008673   0.002629  -0.612408  -0.556200
     5  C    0.001772  -0.001708   0.001188   0.000062  -0.567426   0.054543
     6  C    0.000681   0.000010   0.000518   0.000005  -0.158050  -0.432025
     7  O   -0.000118   0.000001  -0.000046  -0.000000   0.023780  -0.088730
     8  C    0.034612   0.545199  -0.070669  -0.096101  -0.028310  -0.001497
     9  C    0.004356  -0.045554   0.011422   0.044895   0.004400   0.002442
    10  C    0.000053   0.024881  -0.011003  -0.009874   0.011060  -0.004225
    11  C    0.000135   0.000009  -0.000133  -0.000016  -0.084915  -0.004795
    12  H   -0.004117  -0.026924   0.005507  -0.006108   0.002377   0.001517
    13  H    0.016117   0.009783  -0.001352  -0.001376   0.000582  -0.001524
    14  H   -0.002609  -0.040462  -0.002035   0.011543  -0.078417   0.001167
    15  H    0.008538  -0.001038  -0.000562  -0.000830  -0.003799   0.021406
    16  H    0.001868   0.002160   0.000568   0.000214  -0.009254  -0.031241
    17  H   -0.195806   0.000194   0.022756  -0.017094   0.003251   0.002211
    18  H   -0.197695  -0.003249   0.000141   0.000507   0.020129   0.003645
    19  H    1.078195   0.005746  -0.019916   0.009847  -0.001520  -0.000097
    20  H    0.005746   0.887591  -0.117323  -0.129503  -0.002493  -0.000167
    21  H   -0.019916  -0.117323   0.802338   0.001510  -0.014140   0.000118
    22  H    0.009847  -0.129503   0.001510   0.840568   0.002006  -0.000010
    23  H   -0.001520  -0.002493  -0.014140   0.002006   2.372970   0.186757
    24  H   -0.000097  -0.000167   0.000118  -0.000010   0.186757   1.691221
    25  H    0.000014   0.000001   0.000023  -0.000001  -0.029863  -0.006021
    26  H   -0.000003  -0.000000   0.000003   0.000000   0.014047   0.008006
    27  H    0.000004  -0.000006   0.000103  -0.000009  -0.027044  -0.005958
              25         26         27
     1  C   -0.000237   0.000077   0.000488
     2  C    0.000672  -0.000210   0.001345
     3  C   -0.002680   0.000819  -0.002858
     4  C    0.007518   0.021042   0.007744
     5  C   -0.088093   0.050190  -0.058651
     6  C    0.098317   0.117015   0.064351
     7  O    0.004719  -0.038699   0.007202
     8  C    0.000012  -0.000009   0.000066
     9  C    0.000024  -0.000001   0.000039
    10  C    0.000363  -0.000061   0.000233
    11  C    0.251449   0.318174   0.244706
    12  H   -0.000001   0.000000   0.000002
    13  H    0.000001  -0.000000   0.000001
    14  H   -0.000942   0.000107  -0.000090
    15  H   -0.000026  -0.000004  -0.000008
    16  H    0.000044  -0.000006   0.000016
    17  H   -0.000039   0.000010  -0.000373
    18  H   -0.000110   0.000032  -0.000353
    19  H    0.000014  -0.000003   0.000004
    20  H    0.000001  -0.000000  -0.000006
    21  H    0.000023   0.000003   0.000103
    22  H   -0.000001   0.000000  -0.000009
    23  H   -0.029863   0.014047  -0.027044
    24  H   -0.006021   0.008006  -0.005958
    25  H    0.579660  -0.085769   0.068546
    26  H   -0.085769   0.861290  -0.077756
    27  H    0.068546  -0.077756   0.556530
 Mulliken charges:
               1
     1  C    1.524294
     2  C   -4.176819
     3  C    0.472048
     4  C   -0.022572
     5  C   -0.585502
     6  C   -0.558913
     7  O   -0.149421
     8  C    1.123085
     9  C    0.925323
    10  C    0.716388
    11  C    0.424328
    12  H    0.074359
    13  H   -0.273183
    14  H   -0.080858
    15  H   -0.037252
    16  H   -0.401053
    17  H    0.154853
    18  H   -0.047943
    19  H    0.080497
    20  H    0.021606
    21  H    0.155543
    22  H    0.104906
    23  H    0.175570
    24  H    0.144866
    25  H    0.202418
    26  H   -0.188295
    27  H    0.221728
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.711701
     2  C   -4.176819
     3  C    0.391190
     4  C    0.152997
     5  C   -0.440637
     6  C   -0.558913
     7  O   -0.149421
     8  C    1.405140
     9  C    0.726499
    10  C    0.278084
    11  C    0.660179
 Electronic spatial extent (au):  <R**2>=           2424.6961
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5626    Y=              2.1504    Z=             -1.1850  Tot=              4.3267
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -82.0821   YY=            -68.4801   ZZ=            -68.7575
   XY=              8.7020   XZ=             -3.5908   YZ=              0.3794
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.9755   YY=              4.6264   ZZ=              4.3491
   XY=              8.7020   XZ=             -3.5908   YZ=              0.3794
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -56.5106  YYY=             -0.3217  ZZZ=             -0.4366  XYY=              1.5237
  XXY=             32.8024  XXZ=            -14.6942  XZZ=             -0.7860  YZZ=             -0.3603
  YYZ=             -0.4446  XYZ=              1.6190
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2678.0717 YYYY=           -564.9658 ZZZZ=           -297.4193 XXXY=            122.2347
 XXXZ=            -58.8790 YYYX=              3.7386 YYYZ=              1.6775 ZZZX=              4.8130
 ZZZY=             -3.8780 XXYY=           -516.6802 XXZZ=           -449.6365 YYZZ=           -142.5577
 XXYZ=             17.5269 YYXZ=             -1.7179 ZZXY=              4.4933
 N-N= 6.118258063864D+02 E-N=-2.300852188705D+03  KE= 4.595540075745D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 12:22:29 2021, MaxMem=  5637144576 cpu:               9.0 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36998274D+00 7.76974834D-01-4.37281448D-01
 Polarizability= 1.56905145D+02-4.62895229D+00 1.14848454D+02
                 5.96253885D+00-2.88982289D+00 9.71737064D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.2762   -3.2773       -3.2010   -3.2055
 2      3.2762    3.2773        1.4945    1.4931      -22.3687  -22.3703
 3      3.2010    3.2055       30.8288   30.8323       -1.4943   -1.4931
 4     -1.4945   -1.4931        0.0000    0.0000        3.1989    3.2055
 5     -8.4601   -8.4620       -3.1989   -3.2055       -3.2830   -3.2773
 6      1.4943    1.4931        3.2830    3.2773        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        9.8319    9.8319       -9.6164   -9.6164
 2     -4.4793   -4.4793        0.0000    0.0000       -9.6164   -9.6164
 3     -4.4793   -4.4793        9.8319    9.8319        0.0000    0.0000
 4      9.8319    9.8319        4.4793    4.4793      -67.1109  -67.1109
 5      9.6164    9.6164       92.4970   92.4970       -4.4793   -4.4793
 6    -25.3861  -25.3861       -9.6164   -9.6164       -9.8319   -9.8319
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0828    0.0000       13.5206   13.1092       13.6187   12.8219
 2    -13.5162  -13.1092       -6.3006   -5.9724       89.5782   89.4812
 3    -13.1114  -12.8219     -123.3772 -123.3294        5.9767    5.9724
 4      5.7218    5.9724       -0.0577    0.0000      -12.8443  -12.8219
 5     33.9637   33.8482       12.5777   12.8219       13.2820   13.1092
 6     -6.1012   -5.9724      -13.1601  -13.1092        0.1867    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4885    0.0000       -8.4693   -9.1854      -37.8528  -38.2088
 2      8.7809    9.1854      -13.6962  -13.9665       33.4321   33.4267
 3     38.5142   38.2088       17.7600   17.6772       13.1103   13.9665
 4     13.8694   13.9665       -0.4894    0.0000       38.2014   38.2088
 5    -51.1081  -51.1039      -38.6939  -38.2088       -8.9591   -9.1854
 6    -13.6737  -13.9665        9.3694    9.1854       -0.1708    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     32.4705   32.6879       26.5241   26.5647       35.0843   35.3059
 2     51.2299   51.5774       18.3361   18.7703       35.4099   35.3059
 3     51.4140   51.5774       25.9159   26.5647       52.7268   52.4495
 4      7.4527    7.7943      -18.8415  -18.8895       50.1841   49.6794
 5     16.7330   17.1436       37.8678   37.2518       18.1587   18.8895
 6    -86.2109  -86.9313      -17.4938  -17.1436       -7.4185   -7.7943
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5795    0.0008    0.0009    0.0010    2.2632    3.8412
 Low frequencies ---   36.0362   72.0154   86.3935
 Diagonal vibrational polarizability:
       18.1978546      10.1812590      66.2084768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.0333                72.0150                86.3932
 Red. masses --      3.8528                 3.2735                 3.1515
 Frc consts  --      0.0029                 0.0100                 0.0139
 IR Inten    --      3.4167                 0.1986                 1.4861
 RamAct Fr= 1--      1.5756                 0.8464                 0.1650
  Dep-P Fr= 1--      0.7495                 0.6103                 0.7007
  Dep-U Fr= 1--      0.8568                 0.7580                 0.8240
 Alpha2 Fr= 1--      0.0000                 0.0022                 0.0001
 Beta2  Fr= 1--      0.2250                 0.1069                 0.0227
 AlphaG Fr= 1--     -0.0004                -0.0092                 0.0001
 Gamma2 Fr= 1--      0.8367                 0.2262                -0.0786
 Delta2 Fr= 1--      0.5018                 0.2163                -0.0712
 Raman1 Fr= 1--       6.302                  3.386                  0.660
 ROA1   Fr= 1--      96.382                 28.631                 -9.825
 CID1   Fr= 1--      15.293                  8.457                -14.891
 Raman2 Fr= 1--       2.700                  1.283                  0.272
 ROA2   Fr= 1--      16.067                  3.698                 -1.318
 CID2   Fr= 1--       5.951                  2.882                 -4.847
 Raman3 Fr= 1--       5.400                  2.566                  0.544
 ROA3   Fr= 1--      96.382                 28.631                 -9.825
 CID3   Fr= 1--      17.849                 11.157                -18.070
 RC180  Fr= 1--       0.714                  0.516                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12   0.04     0.23   0.04  -0.07    -0.02  -0.11   0.03
     2   6     0.03  -0.02   0.03     0.07   0.00  -0.01     0.02  -0.00  -0.01
     3   6    -0.01   0.01  -0.06    -0.03  -0.06  -0.10     0.00  -0.09   0.04
     4   6    -0.00  -0.01  -0.09    -0.02  -0.08  -0.14     0.00  -0.11   0.03
     5   6    -0.03   0.02   0.03    -0.02  -0.05  -0.09     0.02  -0.06   0.07
     6   6    -0.03   0.03   0.04    -0.06   0.01   0.03     0.01   0.03  -0.01
     7   8    -0.09   0.09   0.26    -0.05   0.04   0.04     0.09   0.10  -0.07
     8   6     0.04   0.05   0.13     0.05   0.01   0.03     0.20   0.12  -0.02
     9   6    -0.00  -0.00  -0.04     0.03   0.03   0.11    -0.11   0.06  -0.09
    10   6    -0.02  -0.00  -0.11    -0.05  -0.03  -0.03    -0.10  -0.05   0.07
    11   6     0.03  -0.05  -0.25    -0.14   0.06   0.18    -0.12   0.06  -0.03
    12   1    -0.02   0.06  -0.03    -0.07   0.03   0.21    -0.01   0.12  -0.20
    13   1     0.01  -0.05  -0.05     0.14   0.07   0.18    -0.27   0.10  -0.15
    14   1    -0.06   0.07  -0.03    -0.09  -0.06  -0.08     0.02  -0.12   0.03
    15   1    -0.01  -0.06  -0.14     0.03  -0.06  -0.09    -0.20  -0.02   0.15
    16   1    -0.06   0.04  -0.15    -0.17  -0.04  -0.02    -0.07  -0.09   0.11
    17   1     0.12  -0.14   0.07     0.25   0.02  -0.17     0.08  -0.18   0.11
    18   1     0.08  -0.17  -0.04     0.25   0.04  -0.10    -0.15  -0.19   0.04
    19   1     0.12  -0.14   0.08     0.30   0.09   0.00    -0.04  -0.04  -0.01
    20   1    -0.00   0.12   0.12    -0.07  -0.02   0.08     0.22   0.20  -0.05
    21   1     0.06   0.04   0.17     0.07  -0.02  -0.08     0.33   0.04   0.04
    22   1     0.07   0.03   0.18     0.13   0.07   0.11     0.20   0.22  -0.07
    23   1     0.03  -0.04  -0.20    -0.02  -0.08  -0.15    -0.01  -0.12  -0.02
    24   1    -0.06   0.06   0.16    -0.01  -0.06  -0.09     0.07  -0.05   0.12
    25   1     0.10  -0.27  -0.30    -0.14   0.18   0.20    -0.19   0.05  -0.01
    26   1     0.02  -0.04  -0.22    -0.15   0.10   0.21    -0.12   0.14  -0.08
    27   1     0.02   0.10  -0.43    -0.18  -0.04   0.25    -0.14   0.02   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.5737               152.0711               166.1082
 Red. masses --      1.0291                 3.3303                 2.6395
 Frc consts  --      0.0094                 0.0454                 0.0429
 IR Inten    --      0.0277                 1.0902                 1.9110
 RamAct Fr= 1--      0.0687                 0.5476                 0.5644
  Dep-P Fr= 1--      0.6470                 0.7366                 0.7031
  Dep-U Fr= 1--      0.7857                 0.8483                 0.8257
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0005
 Beta2  Fr= 1--      0.0090                 0.0774                 0.0777
 AlphaG Fr= 1--     -0.0003                -0.0039                 0.0013
 Gamma2 Fr= 1--     -0.0286                -0.3901                 0.5750
 Delta2 Fr= 1--      0.0296                -0.0404                -0.0529
 Raman1 Fr= 1--       0.275                  2.190                  2.258
 ROA1   Fr= 1--      -1.795                -38.741                 53.510
 CID1   Fr= 1--      -6.532                -17.686                 23.703
 Raman2 Fr= 1--       0.108                  0.929                  0.932
 ROA2   Fr= 1--      -0.922                 -9.039                 14.225
 CID2   Fr= 1--      -8.542                 -9.728                 15.262
 Raman3 Fr= 1--       0.216                  1.858                  1.864
 ROA3   Fr= 1--      -1.795                -38.741                 53.510
 CID3   Fr= 1--      -8.313                -20.848                 28.706
 RC180  Fr= 1--       0.571                  0.697                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.07   0.01  -0.04     0.02  -0.10  -0.01
     2   6     0.00   0.00   0.00     0.01  -0.01  -0.01    -0.01  -0.02  -0.03
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.05    -0.02  -0.04  -0.02
     4   6    -0.00  -0.00   0.01     0.00  -0.01  -0.02    -0.03   0.07  -0.16
     5   6     0.00  -0.00  -0.00    -0.09   0.09   0.36    -0.06   0.12  -0.01
     6   6    -0.00   0.00   0.01    -0.02   0.02   0.08    -0.03   0.03  -0.01
     7   8     0.01  -0.01  -0.03     0.03  -0.05  -0.16    -0.11  -0.06  -0.03
     8   6     0.00   0.00   0.00    -0.03  -0.02   0.01     0.04   0.04   0.03
     9   6    -0.00   0.00   0.01     0.02  -0.01   0.01    -0.00  -0.02  -0.05
    10   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.10     0.09  -0.00   0.19
    11   6    -0.01   0.00   0.01    -0.01  -0.00  -0.00     0.09   0.01   0.06
    12   1    -0.00   0.00   0.01    -0.05   0.01   0.07     0.15  -0.07  -0.19
    13   1     0.00   0.00   0.01     0.10  -0.02   0.04    -0.17   0.02  -0.11
    14   1     0.00   0.00   0.00     0.01   0.05  -0.05    -0.11  -0.20  -0.02
    15   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.15     0.04   0.24   0.33
    16   1    -0.01   0.00  -0.00    -0.07   0.05  -0.15     0.24  -0.17   0.35
    17   1     0.00   0.00  -0.00     0.07   0.01  -0.08     0.06  -0.12   0.02
    18   1     0.00   0.00   0.00     0.10   0.01  -0.06    -0.01  -0.13  -0.04
    19   1     0.00   0.01   0.00     0.10   0.02  -0.01     0.03  -0.09  -0.00
    20   1    -0.00  -0.00   0.00    -0.06  -0.04   0.02     0.02   0.10   0.01
    21   1     0.00  -0.00  -0.00    -0.05  -0.01  -0.02     0.07   0.02   0.07
    22   1     0.00   0.01   0.00    -0.01  -0.04   0.04     0.05   0.05   0.04
    23   1    -0.01   0.00   0.03     0.09  -0.12  -0.37    -0.05   0.02  -0.34
    24   1     0.01  -0.01  -0.03    -0.15   0.18   0.66    -0.11   0.17   0.12
    25   1     0.53  -0.21  -0.14    -0.04  -0.06  -0.01     0.17   0.06   0.06
    26   1    -0.13   0.15   0.52     0.01  -0.02  -0.07     0.09  -0.07   0.13
    27   1    -0.40   0.05  -0.43     0.03   0.05  -0.02     0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    216.3733               240.6081               253.3285
 Red. masses --      1.3816                 2.2606                 1.7595
 Frc consts  --      0.0381                 0.0771                 0.0665
 IR Inten    --      0.3553                 0.7264                 0.0499
 RamAct Fr= 1--      0.5838                 1.9665                 1.7521
  Dep-P Fr= 1--      0.6946                 0.2128                 0.2387
  Dep-U Fr= 1--      0.8198                 0.3509                 0.3854
 Alpha2 Fr= 1--      0.0006                 0.0258                 0.0214
 Beta2  Fr= 1--      0.0798                 0.1150                 0.1125
 AlphaG Fr= 1--      0.0031                -0.0018                 0.0163
 Gamma2 Fr= 1--     -0.0707                 0.1386                -0.1417
 Delta2 Fr= 1--     -0.0005                 0.1117                 0.1682
 Raman1 Fr= 1--       2.335                  7.866                  7.008
 ROA1   Fr= 1--      -6.807                 16.880                 -8.226
 CID1   Fr= 1--      -2.915                  2.146                 -1.174
 Raman2 Fr= 1--       0.957                  1.380                  1.350
 ROA2   Fr= 1--      -1.694                  2.434                 -4.747
 CID2   Fr= 1--      -1.770                  1.763                 -3.515
 Raman3 Fr= 1--       1.914                  2.760                  2.701
 ROA3   Fr= 1--      -6.807                 16.880                 -8.226
 CID3   Fr= 1--      -3.556                  6.115                 -3.046
 RC180  Fr= 1--       0.640                 -0.298                 -0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03     0.01  -0.01  -0.01    -0.01   0.01   0.04
     2   6     0.00   0.03  -0.02    -0.03  -0.02   0.01     0.04  -0.02   0.03
     3   6     0.02   0.00  -0.01    -0.05  -0.06   0.01     0.01   0.03   0.01
     4   6     0.03  -0.04  -0.03    -0.03  -0.02  -0.01    -0.02   0.06   0.02
     5   6     0.02  -0.05   0.01     0.04   0.07  -0.03    -0.05   0.02  -0.00
     6   6     0.01  -0.02   0.00     0.07   0.07  -0.01    -0.07  -0.00  -0.00
     7   8     0.04   0.01   0.01     0.01   0.02   0.00    -0.08  -0.03  -0.02
     8   6    -0.10   0.00   0.06    -0.01  -0.03  -0.02     0.12  -0.01  -0.06
     9   6    -0.00   0.04  -0.04    -0.09   0.01   0.06     0.07  -0.04   0.05
    10   6     0.01   0.02   0.04    -0.15  -0.06  -0.04     0.07  -0.00  -0.04
    11   6    -0.05  -0.01   0.00     0.21   0.05   0.04    -0.07  -0.01  -0.02
    12   1     0.05   0.04  -0.10    -0.17   0.04   0.13     0.02  -0.07   0.11
    13   1    -0.08   0.05  -0.07    -0.02   0.04   0.10     0.15  -0.06   0.08
    14   1     0.02  -0.03  -0.02    -0.04  -0.03   0.01    -0.01   0.05   0.03
    15   1    -0.01   0.09   0.09    -0.14  -0.19  -0.10     0.11  -0.04  -0.08
    16   1     0.05  -0.03   0.09    -0.26   0.01  -0.10     0.05   0.04  -0.08
    17   1     0.12  -0.05  -0.06     0.27  -0.20  -0.07     0.28  -0.20   0.02
    18   1    -0.05  -0.02   0.00    -0.25  -0.13   0.11    -0.34  -0.12   0.23
    19   1     0.05   0.12  -0.04     0.04   0.31  -0.08    -0.04   0.36  -0.10
    20   1     0.25   0.18  -0.12     0.17   0.02  -0.10     0.43   0.06  -0.20
    21   1    -0.34   0.22   0.49    -0.06   0.03   0.15     0.11   0.03   0.20
    22   1    -0.35  -0.44  -0.10    -0.13  -0.15  -0.13    -0.07  -0.12  -0.29
    23   1     0.07  -0.06  -0.07    -0.11  -0.01  -0.04    -0.03   0.07   0.06
    24   1     0.01  -0.04   0.05     0.10   0.06  -0.01    -0.08   0.02  -0.05
    25   1    -0.05  -0.02   0.00     0.26   0.10   0.04    -0.09  -0.03  -0.02
    26   1    -0.05   0.03   0.00     0.22  -0.07   0.08    -0.07   0.01  -0.04
    27   1    -0.08  -0.04   0.00     0.26   0.09   0.04    -0.07  -0.00  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    268.4929               284.1120               355.9930
 Red. masses --      1.6473                 1.5031                 2.2780
 Frc consts  --      0.0700                 0.0715                 0.1701
 IR Inten    --      0.1351                 0.1675                 0.0425
 RamAct Fr= 1--      1.1759                 1.4100                 1.2989
  Dep-P Fr= 1--      0.1218                 0.2213                 0.5277
  Dep-U Fr= 1--      0.2171                 0.3625                 0.6908
 Alpha2 Fr= 1--      0.0195                 0.0181                 0.0056
 Beta2  Fr= 1--      0.0425                 0.0852                 0.1496
 AlphaG Fr= 1--      0.0342                 0.0358                -0.0172
 Gamma2 Fr= 1--      0.3838                -0.6809                 0.1688
 Delta2 Fr= 1--      0.0989                -0.1095                 0.1073
 Raman1 Fr= 1--       4.704                  5.640                  5.196
 ROA1   Fr= 1--      40.009                -68.874                 19.639
 CID1   Fr= 1--       8.506                -12.212                  3.780
 Raman2 Fr= 1--       0.511                  1.022                  1.795
 ROA2   Fr= 1--       8.420                -15.466                  3.193
 CID2   Fr= 1--      16.490                -15.131                  1.779
 Raman3 Fr= 1--       1.021                  2.044                  3.589
 ROA3   Fr= 1--      40.009                -68.874                 19.639
 CID3   Fr= 1--      39.179                -33.692                  5.472
 RC180  Fr= 1--      -0.566                 -0.275                  0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.03  -0.09     0.09  -0.03  -0.05    -0.04   0.20  -0.04
     2   6    -0.02  -0.01  -0.04     0.01  -0.01  -0.02    -0.00  -0.07   0.02
     3   6     0.00   0.01   0.01    -0.01  -0.02   0.01    -0.00  -0.07   0.01
     4   6    -0.03   0.05   0.14    -0.05   0.05   0.12    -0.03  -0.03   0.01
     5   6    -0.01   0.00   0.02    -0.02   0.03   0.01    -0.01   0.00   0.00
     6   6    -0.01   0.00   0.02    -0.03   0.02   0.01    -0.02   0.02  -0.00
     7   8    -0.00  -0.00  -0.01    -0.04  -0.01  -0.02    -0.03  -0.00  -0.01
     8   6    -0.06  -0.00   0.02     0.05   0.00  -0.04     0.07   0.05   0.14
     9   6    -0.02  -0.01  -0.06    -0.02   0.00   0.01     0.00  -0.10  -0.09
    10   6     0.02   0.00   0.03    -0.02  -0.03   0.01     0.02  -0.09  -0.04
    11   6    -0.01  -0.01  -0.02     0.02   0.01  -0.02     0.03   0.01  -0.00
    12   1     0.05  -0.01  -0.12    -0.02  -0.00   0.01     0.08  -0.02  -0.18
    13   1    -0.10  -0.01  -0.09    -0.02   0.03   0.02    -0.11  -0.18  -0.17
    14   1     0.09  -0.02  -0.02     0.05  -0.04  -0.00    -0.02  -0.05   0.02
    15   1    -0.01   0.06   0.07    -0.03  -0.05   0.01    -0.01  -0.08  -0.01
    16   1     0.08  -0.03   0.06    -0.04  -0.02   0.01     0.07  -0.08  -0.06
    17   1     0.44  -0.26  -0.21    -0.21   0.19  -0.05    -0.15   0.27  -0.28
    18   1    -0.15  -0.18  -0.01     0.45   0.11  -0.26     0.06   0.40   0.18
    19   1     0.22   0.37  -0.09     0.14  -0.40   0.13    -0.07   0.30  -0.11
    20   1    -0.28  -0.05   0.12     0.29   0.10  -0.16     0.00   0.26   0.11
    21   1    -0.02  -0.05  -0.17    -0.01   0.07   0.22     0.16  -0.00   0.29
    22   1     0.08   0.11   0.17    -0.11  -0.15  -0.19     0.12   0.05   0.23
    23   1    -0.06   0.10   0.32    -0.12   0.10   0.28    -0.07  -0.01   0.04
    24   1     0.02  -0.04  -0.14     0.01  -0.01  -0.14     0.03  -0.00  -0.02
    25   1    -0.04  -0.05  -0.03     0.01  -0.02  -0.02     0.04   0.02  -0.00
    26   1    -0.00  -0.01  -0.06     0.03  -0.03  -0.04     0.03  -0.03   0.00
    27   1     0.01   0.02  -0.03     0.06   0.05  -0.03     0.05   0.04  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    374.3030               447.5729               472.0920
 Red. masses --      2.2013                 2.5776                 2.9677
 Frc consts  --      0.1817                 0.3042                 0.3897
 IR Inten    --      0.3700                 0.0886                 1.9320
 RamAct Fr= 1--      0.3124                 1.2498                 0.2882
  Dep-P Fr= 1--      0.7426                 0.2932                 0.3299
  Dep-U Fr= 1--      0.8523                 0.4534                 0.4961
 Alpha2 Fr= 1--      0.0000                 0.0131                 0.0027
 Beta2  Fr= 1--      0.0444                 0.0945                 0.0238
 AlphaG Fr= 1--      0.0008                 0.0319                -0.0116
 Gamma2 Fr= 1--      0.1708                -0.1805                 0.3431
 Delta2 Fr= 1--      0.1110                -0.3309                -0.0292
 Raman1 Fr= 1--       1.249                  4.999                  1.153
 ROA1   Fr= 1--      19.944                -27.919                 32.009
 CID1   Fr= 1--      15.962                 -5.585                 27.770
 Raman2 Fr= 1--       0.532                  1.133                  0.286
 ROA2   Fr= 1--       3.210                 -1.685                  8.469
 CID2   Fr= 1--       6.029                 -1.487                 29.619
 Raman3 Fr= 1--       1.065                  2.267                  0.572
 ROA3   Fr= 1--      19.944                -27.919                 32.009
 CID3   Fr= 1--      18.728                -12.317                 55.974
 RC180  Fr= 1--       0.705                 -0.093                 -0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.11    -0.06  -0.00   0.04    -0.02   0.00  -0.03
     2   6    -0.05   0.00  -0.13     0.18   0.05  -0.07     0.03  -0.03  -0.03
     3   6    -0.01  -0.02  -0.08     0.09  -0.10  -0.07     0.05  -0.05   0.03
     4   6    -0.01  -0.01   0.03     0.01  -0.04   0.04     0.03   0.17  -0.04
     5   6     0.00  -0.01   0.02     0.00  -0.01   0.02     0.07   0.20  -0.04
     6   6     0.01  -0.00   0.03    -0.07   0.06   0.04     0.14  -0.04   0.04
     7   8     0.04   0.01  -0.00    -0.12  -0.02  -0.05     0.06  -0.14   0.06
     8   6    -0.01   0.16   0.05    -0.02  -0.05   0.04     0.01  -0.02   0.03
     9   6     0.05  -0.05   0.13     0.08   0.15  -0.01    -0.04   0.03   0.01
    10   6     0.04  -0.00   0.02    -0.02  -0.06   0.01    -0.07  -0.08   0.01
    11   6     0.01  -0.01  -0.00     0.02   0.04  -0.02    -0.13  -0.01  -0.02
    12   1    -0.12  -0.30   0.33     0.08   0.21  -0.02    -0.07   0.04   0.04
    13   1     0.31   0.10   0.30     0.02   0.26   0.00    -0.03   0.09   0.04
    14   1     0.07  -0.09  -0.11     0.11  -0.13  -0.08     0.04  -0.12   0.02
    15   1     0.15   0.02  -0.04    -0.03  -0.10  -0.00    -0.13  -0.23  -0.02
    16   1    -0.03  -0.02   0.04    -0.16  -0.08   0.04    -0.17  -0.00  -0.06
    17   1    -0.08  -0.07  -0.01    -0.08   0.03   0.30    -0.05   0.02  -0.03
    18   1    -0.16  -0.11  -0.11    -0.18  -0.03   0.16    -0.02   0.03   0.02
    19   1    -0.15  -0.09  -0.17    -0.26  -0.08  -0.20    -0.06   0.00  -0.08
    20   1    -0.09   0.41   0.00    -0.20  -0.11   0.13    -0.06   0.02   0.05
    21   1     0.08   0.11   0.22    -0.24   0.08  -0.08    -0.03   0.00   0.04
    22   1     0.06   0.13   0.16     0.06  -0.24   0.24     0.04  -0.07   0.11
    23   1    -0.02   0.01   0.12    -0.08   0.02   0.23    -0.16   0.18  -0.11
    24   1     0.03  -0.04  -0.06     0.10  -0.06  -0.14    -0.08   0.21  -0.06
    25   1    -0.01  -0.04  -0.01     0.02  -0.02  -0.03    -0.33  -0.17  -0.02
    26   1     0.02  -0.01  -0.03     0.04  -0.05  -0.06    -0.17   0.41  -0.15
    27   1     0.03   0.01  -0.01     0.10   0.15  -0.06    -0.34  -0.20  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    523.0297               570.5475               596.2488
 Red. masses --      2.8563                 3.0336                 2.6852
 Frc consts  --      0.4604                 0.5818                 0.5625
 IR Inten    --      5.8091                13.4574                 4.6790
 RamAct Fr= 1--      1.0234                 3.2426                 8.9598
  Dep-P Fr= 1--      0.5674                 0.0699                 0.1105
  Dep-U Fr= 1--      0.7240                 0.1307                 0.1989
 Alpha2 Fr= 1--      0.0035                 0.0611                 0.1529
 Beta2  Fr= 1--      0.1235                 0.0706                 0.2971
 AlphaG Fr= 1--      0.0013                 0.1091                 0.0642
 Gamma2 Fr= 1--      0.5499                -0.2398                 0.0191
 Delta2 Fr= 1--     -0.1764                 0.1187                 0.3719
 Raman1 Fr= 1--       4.094                 12.970                 35.839
 ROA1   Fr= 1--      47.150                -19.219                 13.740
 CID1   Fr= 1--      11.518                 -1.482                  0.383
 Raman2 Fr= 1--       1.482                  0.847                  3.565
 ROA2   Fr= 1--      14.609                 -6.704                 -2.516
 CID2   Fr= 1--       9.859                 -7.911                 -0.706
 Raman3 Fr= 1--       2.964                  1.695                  7.130
 ROA3   Fr= 1--      47.150                -19.219                 13.740
 CID3   Fr= 1--      15.909                -11.340                  1.927
 RC180  Fr= 1--       0.448                 -0.739                 -0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02   0.05    -0.01  -0.01  -0.04     0.04   0.03   0.09
     2   6     0.03  -0.03   0.03     0.07  -0.01  -0.05    -0.04   0.11   0.03
     3   6    -0.08  -0.00  -0.16     0.03  -0.02   0.06    -0.01  -0.08   0.10
     4   6    -0.08   0.05  -0.07    -0.04   0.14   0.03    -0.04  -0.01  -0.06
     5   6    -0.07   0.03  -0.03    -0.13   0.02   0.01    -0.02   0.02  -0.05
     6   6    -0.02  -0.01   0.20    -0.06  -0.11  -0.16    -0.03   0.01   0.10
     7   8     0.17   0.06  -0.04     0.09   0.17   0.03     0.04   0.02  -0.03
     8   6     0.05  -0.07   0.02     0.02  -0.03   0.02    -0.11   0.17  -0.09
     9   6    -0.02   0.01   0.00     0.03   0.05  -0.01     0.10  -0.03  -0.03
    10   6    -0.02   0.03  -0.00    -0.01  -0.07   0.02     0.07  -0.15   0.00
    11   6     0.01  -0.10   0.03     0.01  -0.16   0.04    -0.00  -0.04   0.02
    12   1     0.01   0.09  -0.03     0.03   0.06  -0.01     0.21  -0.06  -0.14
    13   1    -0.06  -0.03  -0.03    -0.01   0.13   0.01    -0.04  -0.05  -0.10
    14   1    -0.19   0.04  -0.12     0.06  -0.11   0.03    -0.08  -0.19   0.10
    15   1     0.04   0.31   0.08    -0.07  -0.26  -0.03     0.07  -0.46  -0.14
    16   1     0.03  -0.17   0.20    -0.11   0.05  -0.10    -0.10   0.08  -0.23
    17   1    -0.04   0.05   0.07    -0.03   0.01   0.03     0.11  -0.03   0.16
    18   1    -0.02   0.06   0.14    -0.04   0.00   0.01     0.02  -0.08  -0.08
    19   1    -0.07   0.03  -0.04    -0.08  -0.04  -0.12     0.12  -0.01   0.20
    20   1     0.09  -0.11   0.01    -0.06  -0.01   0.05    -0.09   0.10  -0.08
    21   1     0.04  -0.07   0.01    -0.05   0.02   0.02    -0.15   0.18  -0.13
    22   1     0.02  -0.06  -0.03     0.06  -0.12   0.12    -0.14   0.19  -0.13
    23   1    -0.18   0.14   0.23    -0.03   0.10  -0.11    -0.14   0.01  -0.04
    24   1    -0.10  -0.06  -0.37    -0.36   0.08   0.13    -0.04   0.01  -0.10
    25   1    -0.07  -0.39  -0.02     0.21   0.23   0.08    -0.04  -0.23  -0.01
    26   1     0.06  -0.17  -0.15    -0.01  -0.37   0.29     0.03  -0.09  -0.09
    27   1     0.14   0.14  -0.12     0.01  -0.29   0.20     0.08   0.12  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    631.4745               745.3666               788.7358
 Red. masses --      2.8526                 2.3388                 1.7675
 Frc consts  --      0.6702                 0.7656                 0.6479
 IR Inten    --      1.3393                 0.9071                 0.4471
 RamAct Fr= 1--      3.6722                 6.6067                 3.0838
  Dep-P Fr= 1--      0.0562                 0.0038                 0.1085
  Dep-U Fr= 1--      0.1064                 0.0075                 0.1958
 Alpha2 Fr= 1--      0.0715                 0.1455                 0.0529
 Beta2  Fr= 1--      0.0651                 0.0082                 0.1006
 AlphaG Fr= 1--     -0.2390                -0.1052                -0.1297
 Gamma2 Fr= 1--     -0.9169                 0.1823                -0.2893
 Delta2 Fr= 1--      0.2965                 0.0978                -0.0558
 Raman1 Fr= 1--      14.689                 26.427                 12.335
 ROA1   Fr= 1--     -78.534                 20.627                -29.559
 CID1   Fr= 1--      -5.346                  0.781                 -2.396
 Raman2 Fr= 1--       0.782                  0.099                  1.207
 ROA2   Fr= 1--     -24.377                  3.592                 -6.497
 CID2   Fr= 1--     -31.192                 36.323                 -5.381
 Raman3 Fr= 1--       1.563                  0.198                  2.415
 ROA3   Fr= 1--     -78.534                 20.627                -29.559
 CID3   Fr= 1--     -50.244                104.288                -12.241
 RC180  Fr= 1--      -0.787                 -0.985                 -0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.05   0.04   0.13     0.02   0.01  -0.01
     2   6    -0.02  -0.05  -0.02     0.01  -0.00  -0.01     0.09   0.04  -0.05
     3   6     0.11   0.06   0.15     0.12  -0.05  -0.08    -0.05  -0.02   0.14
     4   6     0.15   0.07  -0.08     0.12   0.07  -0.00    -0.11  -0.06   0.02
     5   6     0.03  -0.06  -0.08     0.05   0.03   0.03    -0.02   0.01  -0.05
     6   6    -0.12   0.04   0.15    -0.05   0.00  -0.03     0.02   0.01   0.02
     7   8    -0.03   0.04  -0.07    -0.04   0.04  -0.01     0.02  -0.01   0.00
     8   6     0.03  -0.05   0.03    -0.06   0.08  -0.05     0.03   0.01  -0.01
     9   6    -0.08   0.01   0.01    -0.09  -0.10  -0.04    -0.04  -0.02  -0.07
    10   6    -0.03   0.03   0.04    -0.07  -0.04  -0.03     0.04   0.05  -0.05
    11   6    -0.02  -0.02   0.03    -0.03  -0.06   0.00     0.01   0.00   0.02
    12   1    -0.14  -0.05   0.09    -0.36  -0.12   0.23    -0.35  -0.05   0.25
    13   1     0.02   0.07   0.07     0.27  -0.18   0.10     0.39  -0.01   0.11
    14   1     0.10  -0.02   0.14     0.17  -0.03  -0.09    -0.06  -0.03   0.14
    15   1    -0.18  -0.25   0.02    -0.26   0.24   0.22    -0.18   0.17   0.15
    16   1    -0.04   0.21  -0.15     0.18  -0.30   0.21     0.46   0.03  -0.05
    17   1    -0.04  -0.03  -0.23     0.05   0.04   0.14     0.01   0.02   0.09
    18   1     0.02   0.01  -0.10     0.06   0.05   0.15    -0.01  -0.01   0.00
    19   1     0.02   0.02  -0.04     0.05   0.05   0.14    -0.04  -0.04  -0.07
    20   1    -0.01   0.02   0.03    -0.07   0.08  -0.04    -0.09  -0.04   0.05
    21   1     0.07  -0.07   0.08    -0.09   0.10  -0.06    -0.17   0.14  -0.06
    22   1     0.07  -0.06   0.09    -0.06   0.07  -0.04     0.07  -0.21   0.14
    23   1     0.27   0.02  -0.18     0.09   0.10   0.09    -0.18  -0.09  -0.17
    24   1    -0.08  -0.04  -0.06     0.00   0.01  -0.07    -0.03   0.06   0.13
    25   1     0.00  -0.32  -0.04     0.04   0.05   0.01    -0.05  -0.12   0.00
    26   1     0.05  -0.27  -0.13    -0.03  -0.17   0.07     0.02   0.06  -0.06
    27   1     0.21   0.34  -0.16     0.01  -0.06   0.05    -0.01   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    815.1466               867.3137               881.8073
 Red. masses --      3.3642                 1.8419                 1.8032
 Frc consts  --      1.3171                 0.8164                 0.8261
 IR Inten    --      3.7644                 1.4567                 0.5463
 RamAct Fr= 1--     15.0089                10.6946                11.3106
  Dep-P Fr= 1--      0.5628                 0.6285                 0.6610
  Dep-U Fr= 1--      0.7202                 0.7719                 0.7959
 Alpha2 Fr= 1--      0.0533                 0.0236                 0.0179
 Beta2  Fr= 1--      1.8016                 1.3758                 1.5004
 AlphaG Fr= 1--     -0.0414                -0.2504                 0.2511
 Gamma2 Fr= 1--     -1.3230                -8.4175                 6.7888
 Delta2 Fr= 1--     -0.1987                -0.1427                 0.4678
 Raman1 Fr= 1--      60.036                 42.779                 45.243
 ROA1   Fr= 1--    -133.372               -812.644                666.696
 CID1   Fr= 1--      -2.222                -18.997                 14.736
 Raman2 Fr= 1--      21.619                 16.509                 18.005
 ROA2   Fr= 1--     -30.163               -200.878                159.189
 CID2   Fr= 1--      -1.395                -12.168                  8.841
 Raman3 Fr= 1--      43.238                 33.019                 36.010
 ROA3   Fr= 1--    -133.372               -812.644                666.696
 CID3   Fr= 1--      -3.085                -24.612                 18.514
 RC180  Fr= 1--       0.440                  0.544                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.04    -0.06  -0.02  -0.02    -0.02  -0.01   0.01
     2   6     0.04  -0.00  -0.03    -0.09  -0.01   0.06    -0.06  -0.03   0.03
     3   6    -0.01   0.04  -0.00     0.05  -0.06   0.04     0.02  -0.02  -0.04
     4   6     0.02   0.11  -0.03     0.01  -0.03  -0.10    -0.04   0.04   0.12
     5   6    -0.18  -0.16   0.01    -0.03   0.02   0.09     0.01  -0.03  -0.12
     6   6     0.01  -0.13   0.04    -0.00  -0.02  -0.01    -0.00  -0.01   0.01
     7   8     0.08  -0.08   0.04     0.01  -0.00   0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.02  -0.02    -0.01  -0.03   0.04    -0.04  -0.02   0.02
     9   6    -0.02  -0.05  -0.02     0.05   0.13  -0.06     0.10   0.10  -0.02
    10   6    -0.03  -0.07   0.03     0.05  -0.02  -0.03    -0.01  -0.07  -0.05
    11   6     0.04   0.28  -0.07     0.01   0.01  -0.03    -0.01   0.03   0.03
    12   1    -0.08  -0.07   0.05    -0.19   0.14   0.19    -0.01   0.19   0.08
    13   1     0.05  -0.02   0.02     0.33   0.18   0.08     0.17   0.11   0.01
    14   1    -0.06  -0.08  -0.01    -0.15  -0.07   0.09     0.17   0.11  -0.06
    15   1    -0.13  -0.12   0.08    -0.16   0.00   0.12    -0.07   0.18   0.10
    16   1    -0.00  -0.06   0.01     0.19  -0.05  -0.01     0.02  -0.31   0.19
    17   1     0.01   0.03   0.09     0.01  -0.08  -0.26     0.00  -0.03  -0.10
    18   1     0.01   0.03   0.08     0.05  -0.01  -0.15     0.03   0.00  -0.03
    19   1    -0.03  -0.01  -0.03     0.14   0.09   0.20     0.06   0.04   0.10
    20   1    -0.04   0.02  -0.00     0.08  -0.04   0.00     0.06   0.05  -0.04
    21   1    -0.07   0.07  -0.03     0.14  -0.14   0.05     0.16  -0.15   0.07
    22   1     0.01  -0.05   0.03    -0.04   0.14  -0.08    -0.05   0.19  -0.10
    23   1     0.21   0.10   0.06    -0.13   0.10   0.31     0.05  -0.10  -0.39
    24   1    -0.51  -0.15  -0.09     0.03  -0.10  -0.37    -0.17   0.13   0.44
    25   1     0.14   0.36  -0.07     0.04   0.18  -0.00    -0.01  -0.15  -0.01
    26   1     0.05   0.23  -0.04    -0.01   0.02   0.07     0.02  -0.02  -0.09
    27   1     0.13   0.34  -0.05    -0.02  -0.10   0.07     0.06   0.19  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    916.8626               950.5275               957.6920
 Red. masses --      2.1259                 2.0932                 1.9187
 Frc consts  --      1.0530                 1.1143                 1.0369
 IR Inten    --      0.4332                 4.0102                 5.4447
 RamAct Fr= 1--     11.1553                 1.5774                15.0903
  Dep-P Fr= 1--      0.4730                 0.6783                 0.4645
  Dep-U Fr= 1--      0.6422                 0.8083                 0.6343
 Alpha2 Fr= 1--      0.0622                 0.0020                 0.0872
 Beta2  Fr= 1--      1.1941                 0.2125                 1.5953
 AlphaG Fr= 1--      0.2125                -0.0182                 0.1583
 Gamma2 Fr= 1--      1.7528                 2.4832                 3.0323
 Delta2 Fr= 1--     -1.0999                 0.5499                 0.7674
 Raman1 Fr= 1--      44.621                  6.309                 60.361
 ROA1   Fr= 1--     133.069                255.985                315.660
 CID1   Fr= 1--       2.982                 40.572                  5.230
 Raman2 Fr= 1--      14.329                  2.550                 19.144
 ROA2   Fr= 1--      50.865                 55.198                 66.636
 CID2   Fr= 1--       3.550                 21.647                  3.481
 Raman3 Fr= 1--      28.657                  5.100                 38.288
 ROA3   Fr= 1--     133.069                255.985                315.660
 CID3   Fr= 1--       4.643                 50.194                  8.244
 RC180  Fr= 1--       0.284                  0.617                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.14    -0.02   0.07   0.00    -0.01   0.07   0.08
     2   6    -0.07  -0.06  -0.07    -0.03   0.07  -0.01    -0.03   0.01  -0.09
     3   6     0.06  -0.09  -0.07     0.07  -0.05  -0.00    -0.10   0.12   0.00
     4   6    -0.05  -0.01   0.03    -0.04  -0.02   0.00     0.03   0.01  -0.01
     5   6    -0.02  -0.00  -0.03    -0.02   0.02  -0.01     0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.04  -0.01
     7   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.01
     8   6    -0.01  -0.05  -0.02     0.02  -0.07   0.01     0.04  -0.09  -0.04
     9   6    -0.11   0.06  -0.01     0.14  -0.07  -0.06     0.01   0.02  -0.05
    10   6     0.11   0.12   0.02    -0.14   0.15   0.05    -0.00  -0.12   0.02
    11   6     0.00   0.02   0.00     0.00   0.01  -0.00     0.02  -0.03   0.01
    12   1    -0.10  -0.23   0.00     0.14  -0.16  -0.05    -0.05  -0.20   0.03
    13   1    -0.08   0.31   0.08     0.28  -0.39  -0.11     0.06   0.32   0.07
    14   1     0.24  -0.35  -0.16     0.15  -0.13  -0.03    -0.17   0.15   0.03
    15   1     0.15  -0.19  -0.15    -0.24  -0.02   0.05     0.04  -0.06   0.02
    16   1     0.03   0.38  -0.25    -0.33   0.16   0.06    -0.05  -0.16   0.06
    17   1     0.00   0.03  -0.03     0.15  -0.04   0.21     0.16  -0.04   0.17
    18   1     0.11   0.11   0.21    -0.08  -0.16  -0.31    -0.00  -0.10  -0.21
    19   1     0.09   0.11   0.18     0.09  -0.07   0.19     0.16   0.00   0.32
    20   1    -0.07   0.15  -0.05    -0.03   0.11  -0.02    -0.19   0.28  -0.06
    21   1     0.12  -0.12   0.12     0.13  -0.12   0.15     0.09  -0.09   0.22
    22   1     0.06   0.00   0.06     0.10  -0.04   0.11     0.22  -0.21   0.26
    23   1    -0.10  -0.04  -0.12    -0.16  -0.02  -0.06     0.20   0.01   0.10
    24   1    -0.06   0.02   0.05    -0.08   0.01  -0.05     0.12  -0.03   0.04
    25   1     0.00  -0.01  -0.00     0.01   0.03  -0.00    -0.07  -0.08   0.02
    26   1     0.01   0.01  -0.02     0.00  -0.00   0.00     0.00   0.09  -0.02
    27   1     0.01   0.04  -0.02     0.01   0.02  -0.00    -0.06  -0.10   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    970.5649              1001.6269              1004.0735
 Red. masses --      1.5809                 1.2805                 1.7274
 Frc consts  --      0.8774                 0.7569                 1.0260
 IR Inten    --      2.1897                10.8812                 0.6330
 RamAct Fr= 1--     15.8043                24.2083                 5.9648
  Dep-P Fr= 1--      0.2885                 0.2930                 0.5281
  Dep-U Fr= 1--      0.4479                 0.4532                 0.6912
 Alpha2 Fr= 1--      0.1677                 0.2536                 0.0257
 Beta2  Fr= 1--      1.1797                 1.8283                 0.6871
 AlphaG Fr= 1--      0.0612                 0.4066                -0.0301
 Gamma2 Fr= 1--     -0.4876                 5.1913                -0.1666
 Delta2 Fr= 1--     -0.9489                 0.5051                 0.0562
 Raman1 Fr= 1--      63.217                 96.833                 23.859
 ROA1   Fr= 1--     -77.175                514.529                -14.199
 CID1   Fr= 1--      -1.221                  5.314                 -0.595
 Raman2 Fr= 1--      14.156                 21.940                  8.246
 ROA2   Fr= 1--      -4.111                120.551                 -4.448
 CID2   Fr= 1--      -0.290                  5.495                 -0.539
 Raman3 Fr= 1--      28.312                 43.880                 16.491
 ROA3   Fr= 1--     -77.175                514.529                -14.199
 CID3   Fr= 1--      -2.726                 11.726                 -0.861
 RC180  Fr= 1--      -0.104                 -0.094                  0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.04     0.07   0.03  -0.02     0.04  -0.05   0.04
     2   6     0.01  -0.03  -0.02     0.00  -0.01  -0.01     0.04  -0.12  -0.02
     3   6    -0.03   0.07  -0.01    -0.02   0.03   0.00     0.02   0.01   0.09
     4   6    -0.02  -0.01   0.00     0.01   0.01  -0.01    -0.02  -0.02  -0.02
     5   6    -0.01  -0.02  -0.00    -0.03  -0.04   0.00    -0.02   0.02   0.03
     6   6     0.02   0.03  -0.01     0.01   0.03  -0.00    -0.00  -0.01   0.00
     7   8    -0.01   0.01  -0.01    -0.02   0.02  -0.01     0.01  -0.00   0.00
     8   6    -0.00   0.04   0.02    -0.07  -0.04   0.02    -0.07   0.01  -0.12
     9   6     0.09  -0.01  -0.10     0.00   0.00  -0.00     0.07   0.02   0.04
    10   6    -0.07   0.02   0.08     0.01  -0.01   0.01    -0.05   0.04  -0.03
    11   6     0.03  -0.03   0.02     0.05  -0.03   0.02     0.00   0.00  -0.01
    12   1    -0.01  -0.35   0.04    -0.07   0.22   0.05     0.13   0.23  -0.04
    13   1     0.31   0.17   0.05     0.04  -0.11  -0.02    -0.06  -0.05  -0.04
    14   1    -0.05  -0.04  -0.02     0.01  -0.27  -0.05     0.00   0.23   0.13
    15   1    -0.13  -0.15   0.04    -0.18  -0.12   0.09    -0.03   0.18   0.02
    16   1    -0.28   0.08   0.02     0.17   0.10  -0.11    -0.04  -0.05   0.07
    17   1    -0.16   0.04  -0.32     0.01   0.09   0.34    -0.08   0.03  -0.12
    18   1     0.16   0.23   0.39    -0.12  -0.05   0.09     0.09   0.13   0.29
    19   1    -0.04   0.16  -0.11    -0.17  -0.15  -0.28    -0.05   0.05  -0.11
    20   1     0.10  -0.19   0.05     0.11   0.11  -0.08    -0.29   0.51  -0.19
    21   1    -0.07   0.07  -0.15     0.26  -0.25   0.11     0.09  -0.06   0.21
    22   1    -0.10   0.04  -0.12    -0.08   0.29  -0.14     0.13   0.02   0.16
    23   1     0.08  -0.02   0.04     0.10   0.03   0.12    -0.08  -0.04  -0.14
    24   1     0.05  -0.01   0.04    -0.00  -0.02   0.07     0.02  -0.07  -0.29
    25   1    -0.09  -0.10   0.02    -0.13  -0.12   0.03     0.00   0.03  -0.00
    26   1     0.01   0.14  -0.04     0.02   0.24  -0.06     0.00   0.01   0.01
    27   1    -0.08  -0.10  -0.01    -0.12  -0.15  -0.01    -0.01  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1018.2532              1024.5104              1050.6240
 Red. masses --      1.4460                 1.2882                 1.8829
 Frc consts  --      0.8834                 0.7966                 1.2245
 IR Inten    --     18.6180                20.8321                 1.0431
 RamAct Fr= 1--      7.7659                 5.4641                 1.1191
  Dep-P Fr= 1--      0.5858                 0.2520                 0.6110
  Dep-U Fr= 1--      0.7388                 0.4026                 0.7585
 Alpha2 Fr= 1--      0.0238                 0.0644                 0.0029
 Beta2  Fr= 1--      0.9563                 0.3666                 0.1415
 AlphaG Fr= 1--     -0.3193                 0.6094                 0.0082
 Gamma2 Fr= 1--     -0.9639                 3.2135                 0.1449
 Delta2 Fr= 1--      1.2950                -0.2015                -0.1033
 Raman1 Fr= 1--      31.064                 21.856                  4.476
 ROA1   Fr= 1--     -51.095                302.045                 10.600
 CID1   Fr= 1--      -1.645                 13.819                  2.368
 Raman2 Fr= 1--      11.475                  4.400                  1.698
 ROA2   Fr= 1--     -33.494                 78.735                  4.303
 CID2   Fr= 1--      -2.919                 17.896                  2.535
 Raman3 Fr= 1--      22.950                  8.799                  3.395
 ROA3   Fr= 1--     -51.095                302.045                 10.600
 CID3   Fr= 1--      -2.226                 34.326                  3.122
 RC180  Fr= 1--       0.478                 -0.195                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.01    -0.04  -0.02   0.01     0.00   0.00  -0.00
     2   6    -0.00   0.02   0.02     0.01  -0.02   0.02    -0.00   0.00  -0.00
     3   6     0.07  -0.02  -0.02     0.05  -0.03   0.00     0.00   0.01   0.00
     4   6    -0.02   0.02   0.04     0.02  -0.00  -0.05    -0.01   0.01   0.04
     5   6    -0.09  -0.04   0.03    -0.03  -0.05  -0.05     0.01  -0.02  -0.07
     6   6     0.01   0.02  -0.02    -0.00   0.02   0.02    -0.05   0.06   0.20
     7   8    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.01  -0.01  -0.04
     8   6     0.03   0.02   0.00     0.01   0.02  -0.04    -0.00  -0.00   0.01
     9   6    -0.03  -0.01   0.03    -0.01   0.00   0.04    -0.00  -0.00  -0.00
    10   6     0.01  -0.01  -0.01     0.00   0.03  -0.02    -0.00  -0.01   0.00
    11   6     0.10  -0.02   0.04     0.06  -0.02   0.01     0.03  -0.04  -0.15
    12   1     0.00   0.02  -0.01     0.05   0.08  -0.03    -0.00  -0.02   0.00
    13   1    -0.08  -0.04  -0.00    -0.07  -0.10  -0.02    -0.00   0.03   0.01
    14   1     0.12   0.08  -0.02    -0.02   0.03   0.03     0.04   0.03  -0.01
    15   1     0.03   0.02  -0.01     0.00   0.05  -0.01     0.01   0.00  -0.00
    16   1    -0.01  -0.06   0.03    -0.03  -0.02   0.03     0.00  -0.01   0.01
    17   1     0.03  -0.05  -0.08    -0.01  -0.05  -0.16     0.00   0.01   0.02
    18   1     0.01  -0.03  -0.13     0.05   0.02  -0.05    -0.01  -0.00   0.00
    19   1     0.07   0.02   0.13     0.08   0.07   0.13    -0.01  -0.01  -0.01
    20   1    -0.01  -0.09   0.05    -0.11   0.07  -0.01     0.02  -0.02   0.01
    21   1    -0.10   0.10  -0.06    -0.09   0.10  -0.00     0.01  -0.01  -0.01
    22   1     0.00  -0.08   0.02     0.06  -0.11   0.09    -0.01   0.01  -0.01
    23   1     0.12  -0.12  -0.43    -0.12   0.16   0.53     0.05  -0.07  -0.25
    24   1    -0.02  -0.17  -0.44    -0.21   0.13   0.55    -0.01   0.01   0.02
    25   1    -0.22  -0.23   0.05    -0.13  -0.07   0.03     0.06   0.61  -0.00
    26   1     0.06   0.44  -0.13     0.02   0.27  -0.04    -0.07   0.08   0.31
    27   1    -0.20  -0.21  -0.05    -0.13  -0.17   0.00    -0.12  -0.52   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.1275              1158.8325              1174.2278
 Red. masses --      1.3470                 2.1981                 1.6773
 Frc consts  --      0.9414                 1.7392                 1.3626
 IR Inten    --      9.7608                 2.3320                10.9681
 RamAct Fr= 1--      9.6079                12.9208                68.0713
  Dep-P Fr= 1--      0.3537                 0.1669                 0.3632
  Dep-U Fr= 1--      0.5226                 0.2861                 0.5328
 Alpha2 Fr= 1--      0.0833                 0.1913                 0.5723
 Beta2  Fr= 1--      0.8369                 0.6161                 6.0452
 AlphaG Fr= 1--     -0.1396                 0.0969                 0.8542
 Gamma2 Fr= 1--     -0.0251                -1.8450                 8.8918
 Delta2 Fr= 1--      1.0711                -0.4706                 0.6726
 Raman1 Fr= 1--      38.432                 51.683                272.285
 ROA1   Fr= 1--      31.863               -192.179                875.135
 CID1   Fr= 1--       0.829                 -3.718                  3.214
 Raman2 Fr= 1--      10.042                  7.393                 72.542
 ROA2   Fr= 1--      -9.171                -40.516                208.023
 CID2   Fr= 1--      -0.913                 -5.480                  2.868
 Raman3 Fr= 1--      20.084                 14.787                145.084
 ROA3   Fr= 1--      31.863               -192.179                875.135
 CID3   Fr= 1--       1.586                -12.997                  6.032
 RC180  Fr= 1--       0.045                 -0.428                  0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.02    -0.04  -0.01   0.00    -0.06  -0.01   0.05
     2   6     0.00   0.01  -0.02     0.06  -0.01   0.02     0.06   0.03  -0.12
     3   6     0.09   0.01   0.06     0.11   0.18  -0.10    -0.05   0.04   0.07
     4   6    -0.02  -0.05  -0.05    -0.11  -0.11  -0.02     0.01  -0.02  -0.03
     5   6    -0.03   0.02  -0.00    -0.03   0.05  -0.02    -0.01   0.01   0.01
     6   6    -0.01  -0.02   0.00     0.02   0.01   0.00     0.00   0.00   0.00
     7   8     0.01   0.00   0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.03  -0.01   0.05    -0.01   0.01  -0.01    -0.02  -0.00   0.06
     9   6    -0.04  -0.02  -0.03    -0.03  -0.04   0.01     0.06  -0.05   0.07
    10   6    -0.01  -0.02  -0.02     0.03  -0.07   0.10    -0.09  -0.01  -0.06
    11   6     0.02   0.01   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    12   1     0.02  -0.38  -0.05    -0.16   0.36   0.09     0.17   0.10  -0.07
    13   1    -0.09   0.35   0.08    -0.03  -0.12  -0.01    -0.22   0.18   0.02
    14   1     0.23   0.47   0.09     0.37   0.31  -0.15     0.44  -0.39  -0.14
    15   1     0.19   0.13  -0.08    -0.30  -0.42   0.18     0.02   0.25  -0.02
    16   1    -0.14  -0.16   0.13     0.14   0.13  -0.12     0.36  -0.02  -0.08
    17   1     0.02   0.05   0.20     0.02  -0.06  -0.12     0.03  -0.07  -0.18
    18   1    -0.07  -0.04   0.01     0.04   0.00  -0.09     0.13   0.06  -0.05
    19   1    -0.07  -0.08  -0.12     0.06   0.05   0.11     0.13   0.14   0.23
    20   1     0.13  -0.07  -0.00    -0.01   0.05  -0.03     0.17  -0.12   0.02
    21   1     0.12  -0.12  -0.00     0.00   0.00   0.01     0.08  -0.08  -0.07
    22   1    -0.09   0.18  -0.12     0.00   0.03  -0.00    -0.08   0.11  -0.09
    23   1    -0.27   0.02   0.10    -0.15  -0.08   0.06    -0.04   0.01   0.04
    24   1    -0.12   0.04   0.01     0.08   0.05   0.02    -0.05  -0.00  -0.07
    25   1    -0.03  -0.01   0.01     0.04   0.03  -0.01     0.00   0.01  -0.00
    26   1     0.01   0.07  -0.02    -0.01  -0.11   0.03    -0.00  -0.01   0.01
    27   1    -0.02  -0.01  -0.01     0.04   0.04   0.01     0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.6688              1225.7950              1245.4584
 Red. masses --      1.7957                 1.5060                 1.6503
 Frc consts  --      1.4898                 1.3333                 1.5083
 IR Inten    --      7.5401                 2.8311                13.5977
 RamAct Fr= 1--      1.6482                13.9837                15.6862
  Dep-P Fr= 1--      0.7474                 0.4951                 0.3012
  Dep-U Fr= 1--      0.8555                 0.6623                 0.4629
 Alpha2 Fr= 1--      0.0001                 0.0706                 0.1603
 Beta2  Fr= 1--      0.2350                 1.5435                 1.2103
 AlphaG Fr= 1--     -0.0064                 0.0971                 0.2021
 Gamma2 Fr= 1--      0.2339                -1.9366                 0.5301
 Delta2 Fr= 1--      0.0607                -0.5440                -2.6497
 Raman1 Fr= 1--       6.593                 55.935                 62.745
 ROA1   Fr= 1--      24.398               -203.322                -33.899
 CID1   Fr= 1--       3.701                 -3.635                 -0.540
 Raman2 Fr= 1--       2.820                 18.522                 14.524
 ROA2   Fr= 1--       5.129                -42.127                 33.920
 CID2   Fr= 1--       1.819                 -2.274                  2.335
 Raman3 Fr= 1--       5.640                 37.045                 29.047
 ROA3   Fr= 1--      24.398               -203.322                -33.899
 CID3   Fr= 1--       4.326                 -5.489                 -1.167
 RC180  Fr= 1--       0.711                  0.325                 -0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01  -0.01     0.03   0.04  -0.02     0.02  -0.07   0.00
     2   6     0.19  -0.01   0.01    -0.10  -0.09   0.04    -0.03   0.17   0.02
     3   6     0.01  -0.07  -0.05     0.03  -0.02  -0.04     0.01  -0.02  -0.05
     4   6     0.00   0.04   0.05     0.00   0.00   0.01     0.01  -0.00   0.01
     5   6     0.01  -0.02  -0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
     6   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   6    -0.09  -0.00   0.01     0.05   0.04  -0.01     0.00  -0.06  -0.02
     9   6    -0.01  -0.06  -0.03     0.09  -0.05   0.02    -0.01   0.06   0.05
    10   6    -0.04   0.04   0.05    -0.06   0.03  -0.01    -0.06  -0.06   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    12   1    -0.03  -0.06  -0.01     0.15   0.02  -0.04     0.20  -0.47  -0.10
    13   1    -0.04   0.25   0.07    -0.22   0.56   0.10    -0.03  -0.23  -0.06
    14   1    -0.57   0.24   0.16    -0.13   0.11   0.02    -0.04   0.24   0.01
    15   1     0.05  -0.03  -0.05    -0.35  -0.04   0.15    -0.11  -0.05   0.06
    16   1     0.16   0.21  -0.14     0.40   0.17  -0.18     0.52   0.11  -0.20
    17   1     0.08  -0.10  -0.13     0.03   0.04   0.20    -0.15   0.05  -0.15
    18   1     0.06  -0.02  -0.21    -0.11  -0.06   0.00     0.07   0.08   0.17
    19   1     0.11   0.05   0.21    -0.04  -0.11  -0.05    -0.05   0.11  -0.15
    20   1     0.09   0.14  -0.10    -0.09  -0.08   0.07    -0.03   0.07  -0.03
    21   1     0.14  -0.15   0.03    -0.15   0.16  -0.07     0.10  -0.10   0.16
    22   1    -0.08   0.31  -0.13    -0.01  -0.14   0.00     0.11  -0.03   0.11
    23   1     0.06  -0.01  -0.07    -0.02   0.00  -0.00    -0.04   0.00  -0.01
    24   1     0.03  -0.01   0.05    -0.04   0.00   0.00    -0.09   0.02  -0.02
    25   1     0.00  -0.01  -0.00    -0.01  -0.01   0.00    -0.02   0.00   0.01
    26   1     0.00  -0.01  -0.00     0.00   0.01  -0.00     0.01   0.06  -0.02
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1262.9106              1281.6533              1283.9519
 Red. masses --      1.7251                 2.0167                 1.9619
 Frc consts  --      1.6211                 1.9518                 1.9056
 IR Inten    --     51.4163                47.6954                58.3292
 RamAct Fr= 1--     17.2321                12.8835                16.4274
  Dep-P Fr= 1--      0.3186                 0.4323                 0.2290
  Dep-U Fr= 1--      0.4832                 0.6037                 0.3727
 Alpha2 Fr= 1--      0.1671                 0.0847                 0.2063
 Beta2  Fr= 1--      1.3877                 1.2962                 1.0205
 AlphaG Fr= 1--      0.0286                -0.0131                 0.0909
 Gamma2 Fr= 1--      4.3322                -0.2940                 1.6742
 Delta2 Fr= 1--      2.5853                -0.2863                 0.3687
 Raman1 Fr= 1--      68.929                 51.534                 65.710
 ROA1   Fr= 1--     498.619                -37.386                172.526
 CID1   Fr= 1--       7.234                 -0.725                  2.626
 Raman2 Fr= 1--      16.653                 15.554                 12.246
 ROA2   Fr= 1--      83.289                 -4.766                 37.232
 CID2   Fr= 1--       5.002                 -0.306                  3.040
 Raman3 Fr= 1--      33.305                 31.109                 24.491
 ROA3   Fr= 1--     498.619                -37.386                172.526
 CID3   Fr= 1--      14.971                 -1.202                  7.044
 RC180  Fr= 1--      -0.034                  0.207                 -0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01   0.05   0.03     0.01   0.04   0.00
     2   6    -0.03   0.03   0.06     0.01  -0.14  -0.12    -0.03  -0.10  -0.02
     3   6    -0.02  -0.01  -0.01    -0.01  -0.00   0.01     0.03  -0.03   0.01
     4   6     0.02   0.01  -0.01    -0.02   0.01  -0.02    -0.01   0.02  -0.02
     5   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.08  -0.05  -0.00
     6   6    -0.12  -0.12   0.01    -0.12  -0.12   0.01     0.12   0.13  -0.01
     7   8     0.01   0.02  -0.00     0.03   0.01   0.00    -0.01  -0.02   0.00
     8   6     0.01  -0.01  -0.02    -0.00   0.05   0.04     0.01   0.03   0.01
     9   6     0.03  -0.05  -0.08    -0.01   0.11   0.05     0.01   0.09  -0.02
    10   6    -0.07  -0.03   0.09    -0.00  -0.01   0.00    -0.10  -0.05   0.08
    11   6     0.05   0.01   0.01     0.04   0.01   0.01    -0.05  -0.01  -0.01
    12   1    -0.23   0.39   0.13     0.16  -0.20  -0.09    -0.00  -0.06   0.01
    13   1     0.12   0.13   0.02     0.10  -0.42  -0.09     0.21  -0.31  -0.08
    14   1     0.19   0.01  -0.06    -0.08   0.23   0.06     0.13   0.19   0.01
    15   1     0.57   0.13  -0.27    -0.15  -0.03   0.09     0.50   0.17  -0.23
    16   1     0.15   0.17  -0.12     0.10   0.06  -0.07     0.34   0.20  -0.20
    17   1    -0.04   0.02  -0.01     0.12  -0.04   0.10     0.06  -0.00   0.10
    18   1    -0.02  -0.00   0.03    -0.02  -0.03  -0.07    -0.06  -0.04  -0.04
    19   1    -0.02   0.00  -0.06     0.05  -0.07   0.14    -0.00  -0.08   0.03
    20   1    -0.06   0.04  -0.01     0.09  -0.14   0.05    -0.01  -0.06   0.04
    21   1    -0.04   0.03   0.05    -0.01   0.02  -0.16    -0.05   0.06  -0.08
    22   1     0.05  -0.03   0.05    -0.13  -0.02  -0.12    -0.05  -0.05  -0.04
    23   1    -0.06   0.02   0.00     0.07   0.01   0.02     0.12   0.02   0.06
    24   1     0.20   0.03   0.05     0.51   0.00   0.10    -0.09  -0.05   0.00
    25   1    -0.06   0.07   0.03    -0.04   0.11   0.03     0.06  -0.10  -0.04
    26   1     0.02   0.25  -0.07     0.01   0.26  -0.07    -0.02  -0.26   0.07
    27   1    -0.03   0.04  -0.09    -0.01   0.07  -0.10     0.03  -0.06   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1290.2044              1315.3458              1341.1503
 Red. masses --      1.5099                 1.9302                 1.3610
 Frc consts  --      1.4809                 1.9676                 1.4423
 IR Inten    --      3.2233                 6.8101                 0.3055
 RamAct Fr= 1--     21.4121                19.0888                13.8388
  Dep-P Fr= 1--      0.1981                 0.2452                 0.2617
  Dep-U Fr= 1--      0.3307                 0.3938                 0.4148
 Alpha2 Fr= 1--      0.2923                 0.2293                 0.1587
 Beta2  Fr= 1--      1.1801                 1.2529                 0.9568
 AlphaG Fr= 1--      0.0402                 0.1796                -0.0702
 Gamma2 Fr= 1--     -0.6727                 6.2665                -1.1159
 Delta2 Fr= 1--     -0.0562                 3.3218                -1.8120
 Raman1 Fr= 1--      85.648                 76.355                 55.355
 ROA1   Fr= 1--     -66.377                707.884               -165.105
 CID1   Fr= 1--      -0.775                  9.271                 -2.983
 Raman2 Fr= 1--      14.161                 15.035                 11.481
 ROA2   Fr= 1--     -15.695                123.822                -12.285
 CID2   Fr= 1--      -1.108                  8.235                 -1.070
 Raman3 Fr= 1--      28.322                 30.071                 22.963
 ROA3   Fr= 1--     -66.377                707.884               -165.105
 CID3   Fr= 1--      -2.344                 23.541                 -7.190
 RC180  Fr= 1--      -0.339                 -0.212                 -0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02   0.04  -0.03     0.01  -0.01   0.01
     2   6    -0.00   0.05   0.06     0.10  -0.10   0.19    -0.03   0.02  -0.04
     3   6     0.09  -0.01   0.02    -0.03   0.07  -0.01     0.03  -0.05   0.01
     4   6    -0.09   0.06  -0.03    -0.00  -0.06   0.01    -0.03  -0.08   0.02
     5   6    -0.10  -0.02  -0.02     0.02   0.06  -0.01    -0.03   0.12  -0.04
     6   6     0.02   0.02  -0.00    -0.03  -0.03   0.00    -0.00  -0.01   0.00
     7   8     0.03  -0.03   0.01     0.00   0.01  -0.00     0.01   0.00   0.00
     8   6    -0.00  -0.02  -0.02    -0.02   0.02  -0.05     0.00   0.00   0.01
     9   6    -0.00  -0.02   0.01    -0.03   0.07  -0.02     0.01  -0.02   0.00
    10   6    -0.03   0.00  -0.04    -0.02  -0.02  -0.02     0.00   0.01  -0.00
    11   6    -0.02  -0.01  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
    12   1     0.03  -0.13  -0.02     0.12  -0.54  -0.09    -0.03   0.12   0.02
    13   1    -0.09   0.15   0.03     0.09   0.06   0.03    -0.03   0.01  -0.00
    14   1     0.03  -0.21   0.01     0.26  -0.45  -0.16    -0.09   0.09   0.07
    15   1     0.00   0.09  -0.02     0.02   0.08  -0.01     0.03   0.02  -0.02
    16   1     0.01  -0.09   0.05     0.07  -0.03  -0.02    -0.03  -0.00   0.02
    17   1    -0.04   0.02  -0.03     0.09  -0.05  -0.06    -0.02   0.02   0.02
    18   1    -0.00  -0.00   0.01    -0.09  -0.12  -0.22     0.01   0.02   0.06
    19   1    -0.03   0.01  -0.06    -0.06  -0.16  -0.03     0.02   0.02   0.01
    20   1    -0.03   0.05  -0.02    -0.11   0.15  -0.05     0.03  -0.05   0.01
    21   1     0.01  -0.01   0.07    -0.08   0.08   0.05     0.04  -0.03  -0.01
    22   1     0.05   0.01   0.05     0.03   0.08   0.01    -0.01  -0.04   0.01
    23   1     0.32   0.02   0.07     0.19  -0.08   0.07     0.83  -0.18   0.25
    24   1     0.81  -0.09   0.22    -0.21   0.08  -0.08    -0.28   0.15  -0.10
    25   1     0.05   0.02  -0.01    -0.01   0.04   0.01     0.03   0.06   0.01
    26   1    -0.02  -0.03   0.00     0.00   0.07  -0.02    -0.02   0.09  -0.03
    27   1     0.04   0.03   0.02     0.00   0.03  -0.03     0.04   0.05  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1379.0891              1388.7005              1406.1377
 Red. masses --      1.6398                 1.3624                 1.2864
 Frc consts  --      1.8375                 1.5480                 1.4986
 IR Inten    --      0.0813                45.4100                 9.4094
 RamAct Fr= 1--     29.9795                 1.5696                 1.5392
  Dep-P Fr= 1--      0.3400                 0.6879                 0.3991
  Dep-U Fr= 1--      0.5075                 0.8151                 0.5705
 Alpha2 Fr= 1--      0.2718                 0.0017                 0.0114
 Beta2  Fr= 1--      2.5358                 0.2132                 0.1464
 AlphaG Fr= 1--      0.2224                 0.0014                 0.0018
 Gamma2 Fr= 1--      3.5078                 0.7712                 0.0809
 Delta2 Fr= 1--     -0.2345                 0.0176                 0.1369
 Raman1 Fr= 1--     119.918                  6.278                  6.157
 ROA1   Fr= 1--     329.246                 74.602                 12.150
 CID1   Fr= 1--       2.746                 11.882                  1.973
 Raman2 Fr= 1--      30.430                  2.559                  1.756
 ROA2   Fr= 1--      86.063                 18.369                  0.848
 CID2   Fr= 1--       2.828                  7.179                  0.483
 Raman3 Fr= 1--      60.859                  5.118                  3.513
 ROA3   Fr= 1--     329.246                 74.602                 12.150
 CID3   Fr= 1--       5.410                 14.578                  3.459
 RC180  Fr= 1--       0.015                  0.630                  0.141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.03   0.02   0.08
     2   6     0.03   0.01   0.04    -0.00   0.00   0.00    -0.02   0.01  -0.04
     3   6    -0.16  -0.13   0.01    -0.01  -0.00  -0.00     0.02   0.00   0.00
     4   6     0.04   0.05  -0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.02  -0.01   0.00    -0.01  -0.03   0.01     0.00   0.00  -0.00
     6   6     0.01   0.01   0.00     0.05   0.05  -0.00    -0.00  -0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.01  -0.01     0.00  -0.00   0.00     0.06  -0.09   0.05
     9   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.01
    10   6     0.05   0.04   0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.04  -0.15   0.03     0.00   0.00  -0.00
    12   1     0.04   0.01  -0.05    -0.00   0.00   0.00    -0.00   0.04   0.01
    13   1     0.08   0.10   0.06     0.01   0.00   0.00    -0.02  -0.03  -0.01
    14   1     0.66   0.50  -0.13     0.04   0.03  -0.01    -0.08  -0.00   0.03
    15   1    -0.23  -0.11   0.14    -0.00  -0.01   0.00     0.02  -0.02  -0.02
    16   1    -0.06   0.11  -0.05     0.00   0.01  -0.00     0.02  -0.03   0.03
    17   1     0.03  -0.03  -0.07     0.00  -0.00  -0.00    -0.04   0.03  -0.34
    18   1     0.02  -0.02  -0.07     0.01   0.00  -0.00    -0.02  -0.21  -0.27
    19   1    -0.04  -0.02  -0.03    -0.01  -0.00  -0.01    -0.23  -0.04  -0.26
    20   1    -0.02   0.06  -0.02    -0.01   0.01  -0.00    -0.18   0.39  -0.01
    21   1    -0.06   0.03   0.02    -0.01   0.01   0.00    -0.37   0.20  -0.19
    22   1     0.02   0.08  -0.01     0.00   0.01  -0.01    -0.10   0.31  -0.33
    23   1     0.22   0.05   0.08    -0.10   0.03  -0.03     0.01  -0.01   0.01
    24   1     0.13  -0.03   0.02    -0.06  -0.03  -0.01    -0.01   0.01  -0.00
    25   1     0.02  -0.05  -0.02     0.15   0.56   0.13    -0.00  -0.01  -0.00
    26   1    -0.00  -0.03   0.01    -0.09   0.45  -0.15     0.00  -0.00   0.00
    27   1     0.00  -0.03   0.05     0.26   0.44  -0.31    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3403              1471.3785              1480.0974
 Red. masses --      1.2290                 1.0563                 1.0474
 Frc consts  --      1.4669                 1.3473                 1.3518
 IR Inten    --      3.2445                10.1373                10.5731
 RamAct Fr= 1--      1.1478                 4.8088                 5.2921
  Dep-P Fr= 1--      0.6390                 0.7450                 0.7493
  Dep-U Fr= 1--      0.7798                 0.8539                 0.8567
 Alpha2 Fr= 1--      0.0023                 0.0004                 0.0001
 Beta2  Fr= 1--      0.1492                 0.6843                 0.7556
 AlphaG Fr= 1--     -0.0072                -0.0028                -0.0019
 Gamma2 Fr= 1--      0.3669                 0.2967                -0.9741
 Delta2 Fr= 1--     -0.0397                 0.0071                -0.1085
 Raman1 Fr= 1--       4.591                 19.235                 21.168
 ROA1   Fr= 1--      33.955                 28.713                -96.983
 CID1   Fr= 1--       7.396                  1.493                 -4.582
 Raman2 Fr= 1--       1.790                  8.212                  9.067
 ROA2   Fr= 1--       9.124                  7.065                -22.510
 CID2   Fr= 1--       5.097                  0.860                 -2.483
 Raman3 Fr= 1--       3.580                 16.424                 18.134
 ROA3   Fr= 1--      33.955                 28.713                -96.983
 CID3   Fr= 1--       9.485                  1.748                 -5.348
 RC180  Fr= 1--       0.560                  0.708                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00  -0.02
     7   8     0.00  -0.00   0.00    -0.02   0.02  -0.01    -0.00   0.00   0.00
     8   6     0.04  -0.07   0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.05  -0.00  -0.01     0.01  -0.02  -0.05
    12   1     0.05  -0.02  -0.05    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    13   1     0.06  -0.02   0.02    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    14   1     0.03  -0.02  -0.01    -0.01  -0.01  -0.00    -0.01  -0.00   0.00
    15   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1    -0.02   0.02  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.01
    17   1    -0.01  -0.00   0.45    -0.00   0.00  -0.00     0.03  -0.03  -0.00
    18   1     0.03   0.26   0.35    -0.01  -0.00   0.01     0.02   0.02   0.01
    19   1     0.31   0.12   0.32     0.01  -0.01   0.01    -0.01  -0.02  -0.01
    20   1    -0.14   0.30  -0.02     0.00   0.01  -0.00    -0.02  -0.02   0.01
    21   1    -0.30   0.17  -0.09    -0.00  -0.00  -0.01    -0.01   0.01   0.03
    22   1    -0.04   0.27  -0.22    -0.00  -0.00  -0.00     0.00   0.02  -0.01
    23   1     0.01  -0.01   0.00    -0.04   0.00  -0.01     0.00  -0.00  -0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.00     0.53  -0.30  -0.18    -0.44  -0.20   0.01
    26   1     0.00  -0.01  -0.00    -0.08   0.41  -0.14    -0.17   0.20   0.68
    27   1    -0.01  -0.00  -0.01     0.36  -0.11   0.51     0.41   0.23   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.0382              1484.2953              1493.7846
 Red. masses --      1.0679                 1.0485                 1.0639
 Frc consts  --      1.3839                 1.3610                 1.3987
 IR Inten    --      0.6536                 0.1051                 5.6850
 RamAct Fr= 1--      4.8818                10.5724                 4.9655
  Dep-P Fr= 1--      0.7393                 0.7426                 0.7279
  Dep-U Fr= 1--      0.8501                 0.8523                 0.8425
 Alpha2 Fr= 1--      0.0009                 0.0013                 0.0019
 Beta2  Fr= 1--      0.6917                 1.5018                 0.6972
 AlphaG Fr= 1--     -0.0014                 0.0003                 0.0123
 Gamma2 Fr= 1--      2.8238                -1.9861                -0.9359
 Delta2 Fr= 1--      0.7982                -0.8314                 0.4763
 Raman1 Fr= 1--      19.527                 42.290                 19.862
 ROA1   Fr= 1--     296.626               -217.270                -74.600
 CID1   Fr= 1--      15.190                 -5.138                 -3.756
 Raman2 Fr= 1--       8.300                 18.021                  8.367
 ROA2   Fr= 1--      61.386                -41.015                -26.272
 CID2   Fr= 1--       7.396                 -2.276                 -3.140
 Raman3 Fr= 1--      16.600                 36.043                 16.734
 ROA3   Fr= 1--     296.626               -217.270                -74.600
 CID3   Fr= 1--      17.869                 -6.028                 -4.458
 RC180  Fr= 1--       0.700                  0.705                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.01    -0.03  -0.00   0.01    -0.01   0.02   0.00
     2   6     0.00  -0.01   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.02
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01     0.03   0.01  -0.03    -0.01  -0.02  -0.03
     9   6    -0.05  -0.01   0.01     0.02   0.00  -0.00    -0.03  -0.01   0.01
    10   6    -0.02   0.03  -0.00     0.01  -0.02   0.00    -0.02   0.03  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.26   0.13  -0.31    -0.10  -0.05   0.11     0.17   0.12  -0.20
    13   1     0.37   0.08   0.20    -0.13  -0.03  -0.07     0.23   0.03   0.12
    14   1     0.00  -0.02  -0.00    -0.01  -0.00   0.01    -0.04   0.01   0.01
    15   1     0.04  -0.25  -0.15    -0.01   0.13   0.07     0.04  -0.27  -0.16
    16   1     0.16  -0.17   0.17    -0.08   0.08  -0.08     0.17  -0.18   0.18
    17   1    -0.08   0.05   0.20     0.27  -0.20   0.13     0.21  -0.14  -0.10
    18   1     0.19   0.00  -0.21     0.36   0.21  -0.11     0.02   0.10   0.13
    19   1    -0.02   0.33  -0.14    -0.15   0.05  -0.18    -0.07  -0.26   0.01
    20   1    -0.21   0.05   0.07    -0.38  -0.26   0.21     0.17  -0.25  -0.01
    21   1     0.17  -0.11  -0.05     0.04   0.04   0.42    -0.23   0.18   0.30
    22   1    -0.18  -0.22  -0.16    -0.11   0.11  -0.24     0.24   0.36   0.16
    23   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.01  -0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.02  -0.01  -0.00     0.04   0.01  -0.00     0.01   0.00  -0.00
    26   1    -0.01   0.01   0.03     0.01  -0.01  -0.05     0.00  -0.00  -0.01
    27   1     0.02   0.01   0.01    -0.03  -0.02   0.00    -0.01  -0.01   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.0986              1505.5056              1508.3929
 Red. masses --      1.0934                 1.0554                 1.0870
 Frc consts  --      1.4535                 1.4095                 1.4571
 IR Inten    --      4.3388                 8.1984                 5.8650
 RamAct Fr= 1--      7.9896                 3.8440                 1.3754
  Dep-P Fr= 1--      0.5922                 0.7491                 0.7149
  Dep-U Fr= 1--      0.7439                 0.8566                 0.8337
 Alpha2 Fr= 1--      0.0235                 0.0001                 0.0008
 Beta2  Fr= 1--      0.9905                 0.5488                 0.1911
 AlphaG Fr= 1--      0.0150                -0.0023                 0.0029
 Gamma2 Fr= 1--      0.4769                 0.4660                 0.0806
 Delta2 Fr= 1--     -0.4741                -1.0684                 0.2663
 Raman1 Fr= 1--      31.958                 15.376                  5.502
 ROA1   Fr= 1--      30.613                 10.547                 16.259
 CID1   Fr= 1--       0.958                  0.686                  2.955
 Raman2 Fr= 1--      11.886                  6.585                  2.293
 ROA2   Fr= 1--      15.239                 19.731                 -0.196
 CID2   Fr= 1--       1.282                  2.996                 -0.085
 Raman3 Fr= 1--      23.773                 13.171                  4.587
 ROA3   Fr= 1--      30.613                 10.547                 16.259
 CID3   Fr= 1--       1.288                  0.801                  3.545
 RC180  Fr= 1--       0.488                  0.713                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.00  -0.03   0.02     0.03   0.00   0.01
     2   6    -0.03   0.03   0.01    -0.02  -0.04  -0.00     0.01   0.01  -0.02
     3   6     0.02   0.01  -0.00     0.01   0.00  -0.00     0.01   0.01  -0.00
     4   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.02    -0.03  -0.01  -0.01     0.01   0.00  -0.02
     9   6    -0.04  -0.02   0.01     0.00   0.01   0.00    -0.04  -0.02   0.01
    10   6     0.01  -0.05  -0.00     0.01  -0.02   0.00     0.02  -0.05   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.19   0.11  -0.22     0.00  -0.01   0.00     0.20   0.12  -0.23
    13   1     0.24   0.07   0.15     0.00  -0.01  -0.00     0.27   0.04   0.16
    14   1    -0.04  -0.03   0.01    -0.02  -0.00   0.01    -0.04  -0.02   0.01
    15   1    -0.03   0.31   0.17    -0.01   0.15   0.08    -0.04   0.32   0.18
    16   1    -0.17   0.19  -0.22    -0.08   0.10  -0.10    -0.20   0.20  -0.22
    17   1     0.34  -0.25  -0.04    -0.14   0.10   0.28    -0.27   0.20  -0.14
    18   1     0.22   0.21   0.07     0.24  -0.04  -0.33    -0.29  -0.22   0.02
    19   1    -0.17  -0.23  -0.12    -0.03   0.48  -0.19     0.11   0.01   0.12
    20   1     0.15   0.20  -0.11     0.35  -0.08  -0.12    -0.17  -0.22   0.12
    21   1     0.03  -0.07  -0.29    -0.22   0.14   0.00     0.01   0.04   0.31
    22   1     0.01  -0.16   0.10     0.25   0.22   0.27    -0.02   0.13  -0.10
    23   1    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00  -0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
    27   1    -0.00  -0.01   0.00     0.01   0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.7788              1737.0293              3013.2685
 Red. masses --      5.9809                 9.8783                 1.0772
 Frc consts  --     10.1334                17.5609                 5.7625
 IR Inten    --     65.0249               276.7699                 8.4563
 RamAct Fr= 1--    381.8207               220.1022                68.1391
  Dep-P Fr= 1--      0.2790                 0.3169                 0.4976
  Dep-U Fr= 1--      0.4363                 0.4813                 0.6645
 Alpha2 Fr= 1--      4.1660                 2.1448                 0.3403
 Beta2  Fr= 1--     27.7643                17.6551                 7.5464
 AlphaG Fr= 1--      1.1884                 0.1070                -0.6675
 Gamma2 Fr= 1--     12.4041                -0.6995                -2.1449
 Delta2 Fr= 1--      1.2314                 1.0567               -11.1502
 Raman1 Fr= 1--    1527.283                880.409                272.557
 ROA1   Fr= 1--    1230.199                -33.338               -562.718
 CID1   Fr= 1--       0.805                 -0.038                 -2.065
 Raman2 Fr= 1--     333.172                211.862                 90.557
 ROA2   Fr= 1--     287.847                -25.241                 37.723
 CID2   Fr= 1--       0.864                 -0.119                  0.417
 Raman3 Fr= 1--     666.343                423.723                181.114
 ROA3   Fr= 1--    1230.199                -33.338               -562.718
 CID3   Fr= 1--       1.846                 -0.079                 -3.107
 RC180  Fr= 1--      -0.127                 -0.037                  0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.02   0.01  -0.07
     4   6     0.42  -0.18   0.15    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     5   6    -0.39   0.18  -0.14    -0.06   0.04  -0.03     0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.49  -0.45   0.24    -0.00   0.00  -0.00
     7   8     0.05  -0.03   0.02    -0.32   0.29  -0.16     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.01
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00   0.01
    11   6    -0.01   0.00  -0.00    -0.03   0.03  -0.02    -0.00   0.00  -0.00
    12   1     0.01   0.01  -0.01     0.01   0.00  -0.01    -0.01  -0.00  -0.01
    13   1     0.02   0.00   0.01     0.01   0.00   0.01    -0.01  -0.01   0.02
    14   1    -0.17  -0.03   0.01    -0.00   0.01   0.00     0.25  -0.13   0.89
    15   1    -0.02  -0.01   0.03    -0.01  -0.00   0.01    -0.04   0.02  -0.05
    16   1     0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.03  -0.03
    17   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    18   1     0.02   0.01   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00   0.00    -0.01   0.00   0.01
    20   1     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.06  -0.06  -0.17
    21   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.12   0.16  -0.02
    22   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.14   0.04   0.10
    23   1    -0.52  -0.13  -0.09    -0.01  -0.01   0.00     0.00   0.04  -0.01
    24   1     0.43   0.16   0.05     0.30  -0.01   0.07    -0.00  -0.01   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.04     0.00  -0.00   0.01
    26   1    -0.01  -0.01   0.00     0.03  -0.28   0.09    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.13  -0.16     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3017.7771              3028.7763              3040.7290
 Red. masses --      1.0394                 1.0360                 1.0371
 Frc consts  --      5.5772                 5.5995                 5.6499
 IR Inten    --     35.8869                23.7258                 3.7612
 RamAct Fr= 1--    149.9977               207.7868               139.3850
  Dep-P Fr= 1--      0.0271                 0.0177                 0.0072
  Dep-U Fr= 1--      0.0527                 0.0348                 0.0144
 Alpha2 Fr= 1--      3.1283                 4.4302                 3.0454
 Beta2  Fr= 1--      1.3177                 1.2037                 0.3343
 AlphaG Fr= 1--     -1.0181                -0.2276                 0.6078
 Gamma2 Fr= 1--     -3.4777                 2.2470                 0.0408
 Delta2 Fr= 1--     -2.0632                 0.2517                -1.6330
 Raman1 Fr= 1--     599.991                831.147                557.540
 ROA1   Fr= 1--    -399.884                223.761                -48.336
 CID1   Fr= 1--      -0.666                  0.269                 -0.087
 Raman2 Fr= 1--      15.813                 14.445                  4.012
 ROA2   Fr= 1--     -66.959                 51.914                 14.044
 CID2   Fr= 1--      -4.235                  3.594                  3.500
 Raman3 Fr= 1--      31.625                 28.889                  8.024
 ROA3   Fr= 1--    -399.884                223.761                -48.336
 CID3   Fr= 1--     -12.644                  7.746                 -6.024
 RC180  Fr= 1--      -0.895                 -0.930                 -0.971
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00   0.02     0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.02
    12   1     0.03   0.00   0.03     0.05   0.00   0.05     0.00   0.00   0.00
    13   1     0.01   0.01  -0.03     0.02   0.02  -0.06     0.00   0.00  -0.00
    14   1    -0.08   0.04  -0.28    -0.02   0.01  -0.08    -0.00   0.00  -0.01
    15   1     0.01  -0.01   0.02    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    16   1    -0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
    17   1    -0.09  -0.12   0.01     0.34   0.48  -0.04     0.00   0.00  -0.00
    18   1    -0.06   0.08  -0.04     0.25  -0.34   0.19     0.00  -0.00   0.00
    19   1     0.12  -0.03  -0.09    -0.48   0.12   0.35    -0.00   0.00   0.00
    20   1    -0.15  -0.13  -0.41    -0.04  -0.03  -0.11    -0.00  -0.00  -0.00
    21   1     0.34   0.47  -0.06     0.08   0.11  -0.01     0.00   0.00  -0.00
    22   1    -0.43   0.12   0.31    -0.10   0.03   0.07    -0.00   0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.03  -0.01
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.12   0.63
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.38  -0.05  -0.08
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.36  -0.40  -0.36
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3052.1694              3070.4364              3074.1289
 Red. masses --      1.0578                 1.0595                 1.1008
 Frc consts  --      5.8062                 5.8849                 6.1294
 IR Inten    --     43.4519                20.6379                16.8992
 RamAct Fr= 1--    190.0489               127.3728                52.6507
  Dep-P Fr= 1--      0.0935                 0.0720                 0.6059
  Dep-U Fr= 1--      0.1710                 0.1344                 0.7546
 Alpha2 Fr= 1--      3.3809                 2.3867                 0.1400
 Beta2  Fr= 1--      5.4154                 2.8527                 6.6215
 AlphaG Fr= 1--     -0.2174                 0.1210                 0.0994
 Gamma2 Fr= 1--      3.4330                 5.8800                -0.4555
 Delta2 Fr= 1--     -3.3033                -4.7353                 2.1979
 Raman1 Fr= 1--     760.195                509.491                210.603
 ROA1   Fr= 1--     223.866                412.948                 26.607
 CID1   Fr= 1--       0.294                  0.811                  0.126
 Raman2 Fr= 1--      64.985                 34.233                 79.458
 ROA2   Fr= 1--     108.820                179.001                -28.515
 CID2   Fr= 1--       1.675                  5.229                 -0.359
 Raman3 Fr= 1--     129.970                 68.466                158.916
 ROA3   Fr= 1--     223.866                412.948                 26.607
 CID3   Fr= 1--       1.722                  6.031                  0.167
 RC180  Fr= 1--      -0.658                 -0.731                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02   0.01  -0.01
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.08  -0.03   0.03
     9   6     0.06   0.02  -0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00    -0.03   0.06  -0.01     0.00  -0.00   0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.51  -0.05  -0.54    -0.11  -0.01  -0.11    -0.00   0.00  -0.00
    13   1    -0.22  -0.19   0.57     0.01   0.01  -0.02     0.02   0.01  -0.04
    14   1    -0.01   0.01  -0.04     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    15   1    -0.02   0.01  -0.03     0.39  -0.24   0.59    -0.02   0.01  -0.03
    16   1     0.01   0.09   0.09    -0.04  -0.44  -0.46     0.00   0.03   0.03
    17   1     0.03   0.05  -0.00     0.02   0.02  -0.00    -0.09  -0.14   0.01
    18   1     0.02  -0.03   0.01    -0.02   0.03  -0.02     0.01   0.00  -0.00
    19   1    -0.03   0.01   0.02    -0.05   0.01   0.04    -0.12   0.03   0.09
    20   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.02   0.02   0.11
    21   1     0.04   0.06  -0.01     0.02   0.03  -0.00     0.39   0.57  -0.06
    22   1    -0.03   0.01   0.02     0.02  -0.01  -0.02     0.52  -0.17  -0.38
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    24   1    -0.00  -0.00   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.1836              3085.5797              3096.5469
 Red. masses --      1.1016                 1.1016                 1.0994
 Frc consts  --      6.1778                 6.1792                 6.2110
 IR Inten    --     26.0360                38.9282                 6.2940
 RamAct Fr= 1--     55.0224                96.1488                35.7900
  Dep-P Fr= 1--      0.6963                 0.7288                 0.7332
  Dep-U Fr= 1--      0.8210                 0.8432                 0.8461
 Alpha2 Fr= 1--      0.0516                 0.0349                 0.0103
 Beta2  Fr= 1--      7.5288                13.5113                 5.0469
 AlphaG Fr= 1--     -0.0419                 0.0692                 0.1117
 Gamma2 Fr= 1--     14.0693                 7.6993                13.9297
 Delta2 Fr= 1--     14.3953                 1.1305                 9.9562
 Raman1 Fr= 1--     220.090                384.595                143.160
 ROA1   Fr= 1--    1811.304                775.308               1655.846
 CID1   Fr= 1--       8.230                  2.016                 11.566
 Raman2 Fr= 1--      90.345                162.136                 60.563
 ROA2   Fr= 1--     222.500                175.739                254.662
 CID2   Fr= 1--       2.463                  1.084                  4.205
 Raman3 Fr= 1--     180.691                324.272                121.126
 ROA3   Fr= 1--    1811.304                775.308               1655.846
 CID3   Fr= 1--      10.024                  2.391                 13.670
 RC180  Fr= 1--       0.642                  0.686                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.07  -0.03   0.03    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.05  -0.07    -0.02   0.00   0.03     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02  -0.08
    12   1    -0.04  -0.00  -0.04     0.06   0.01   0.06    -0.05  -0.01  -0.05
    13   1     0.05   0.04  -0.11    -0.04  -0.03   0.09     0.03   0.02  -0.07
    14   1     0.01  -0.00   0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    16   1    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03     0.00   0.03   0.03
    17   1     0.09   0.14  -0.01     0.38   0.55  -0.03     0.00   0.01  -0.00
    18   1     0.03  -0.04   0.03    -0.02   0.00   0.00     0.01  -0.01   0.01
    19   1     0.15  -0.04  -0.11     0.50  -0.14  -0.38     0.02  -0.00  -0.01
    20   1     0.27   0.22   0.74    -0.07  -0.05  -0.17    -0.00  -0.00  -0.01
    21   1     0.18   0.25  -0.05     0.05   0.08  -0.00    -0.00  -0.00   0.00
    22   1    -0.30   0.08   0.20     0.21  -0.07  -0.15     0.01  -0.00  -0.00
    23   1    -0.00  -0.01   0.00    -0.00  -0.03   0.01     0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.14  -0.15   0.67
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.44   0.37
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.6706              3099.1354              3118.9788
 Red. masses --      1.1076                 1.1004                 1.1078
 Frc consts  --      6.2577                 6.2270                 6.3492
 IR Inten    --     20.6574                30.1254                40.0595
 RamAct Fr= 1--    108.3755                29.6048                77.3108
  Dep-P Fr= 1--      0.5955                 0.6382                 0.5855
  Dep-U Fr= 1--      0.7464                 0.7791                 0.7385
 Alpha2 Fr= 1--      0.3111                 0.0599                 0.2377
 Beta2  Fr= 1--     13.4826                 3.8443                 9.5162
 AlphaG Fr= 1--      0.2033                 0.0791                 0.6643
 Gamma2 Fr= 1--    -37.7879                12.2307                -4.2918
 Delta2 Fr= 1--     -7.0993                -0.0276                -4.7930
 Raman1 Fr= 1--     433.502                118.419                309.243
 ROA1   Fr= 1--   -3854.815               1173.262               -565.392
 CID1   Fr= 1--      -8.892                  9.908                 -1.828
 Raman2 Fr= 1--     161.791                 46.132                114.195
 ROA2   Fr= 1--    -850.115                293.757                -64.660
 CID2   Fr= 1--      -5.254                  6.368                 -0.566
 Raman3 Fr= 1--     323.582                 92.264                228.389
 ROA3   Fr= 1--   -3854.815               1173.262               -565.392
 CID3   Fr= 1--     -11.913                 12.716                 -2.476
 RC180  Fr= 1--       0.493                  0.558                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.04  -0.08   0.02    -0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.01   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00  -0.04
    10   6     0.01   0.02   0.03    -0.00  -0.01  -0.01    -0.03  -0.02  -0.08
    11   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.39   0.05   0.38    -0.02  -0.00  -0.02     0.21   0.02   0.21
    13   1    -0.26  -0.21   0.60     0.03   0.02  -0.07    -0.10  -0.08   0.22
    14   1    -0.01   0.00  -0.03     0.00  -0.00   0.01     0.02  -0.01   0.07
    15   1    -0.09   0.06  -0.13     0.02  -0.02   0.03     0.33  -0.22   0.49
    16   1    -0.02  -0.25  -0.24     0.01   0.12   0.12     0.02   0.47   0.45
    17   1    -0.01  -0.02   0.00     0.20   0.26  -0.02    -0.02  -0.03   0.00
    18   1    -0.06   0.08  -0.05    -0.46   0.63  -0.36     0.05  -0.07   0.04
    19   1    -0.10   0.03   0.08    -0.24   0.05   0.19     0.02  -0.00  -0.01
    20   1     0.05   0.03   0.12     0.01   0.01   0.03     0.01   0.01   0.04
    21   1     0.03   0.04  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    22   1    -0.05   0.01   0.03    -0.02   0.01   0.01    -0.01   0.00   0.01
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    24   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.04  -0.01
    25   1     0.02  -0.02   0.08     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.05   0.05   0.04     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3133.7000              3146.1009              3171.5175
 Red. masses --      1.0877                 1.1011                 1.0885
 Frc consts  --      6.2931                 6.4214                 6.4508
 IR Inten    --     10.7506                10.8375                 5.8683
 RamAct Fr= 1--     75.5971                84.0485                43.6987
  Dep-P Fr= 1--      0.1897                 0.5799                 0.2021
  Dep-U Fr= 1--      0.3189                 0.7341                 0.3362
 Alpha2 Fr= 1--      1.0548                 0.2681                 0.5902
 Beta2  Fr= 1--      4.0186                10.2836                 2.4487
 AlphaG Fr= 1--      0.4389                -0.1300                -0.5419
 Gamma2 Fr= 1--     -0.3100                -1.1224                -0.0268
 Delta2 Fr= 1--      0.5968                -2.7032                 1.8715
 Raman1 Fr= 1--     302.388                336.194                174.795
 ROA1   Fr= 1--     -10.666               -194.251                 57.314
 CID1   Fr= 1--      -0.035                 -0.578                  0.328
 Raman2 Fr= 1--      48.223                123.404                 29.384
 ROA2   Fr= 1--     -12.215                 -5.311                -15.616
 CID2   Fr= 1--      -0.253                 -0.043                 -0.531
 Raman3 Fr= 1--      96.445                246.808                 58.768
 ROA3   Fr= 1--     -10.666               -194.251                 57.314
 CID3   Fr= 1--      -0.111                 -0.787                  0.975
 RC180  Fr= 1--      -0.362                  0.468                 -0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.01  -0.08   0.02     0.00   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.02
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.01  -0.02     0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.01   0.01  -0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.03   0.02  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    17   1     0.02   0.03  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.01   0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.17   0.94  -0.24    -0.01  -0.09   0.02     0.01   0.09  -0.02
    24   1    -0.01  -0.08   0.02     0.00   0.03  -0.01     0.14   0.95  -0.24
    25   1    -0.00  -0.00   0.00     0.04  -0.05   0.26    -0.00   0.00  -0.00
    26   1     0.09   0.02   0.02     0.89   0.14   0.18    -0.02  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.14  -0.17  -0.16    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   827.057553373.570223697.61844
           X            0.99990   0.01286  -0.00560
           Y           -0.01289   0.99990  -0.00527
           Z            0.00553   0.00534   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10473     0.02567     0.02342
 Rotational constants (GHZ):           2.18212     0.53496     0.48808
 Zero-point vibrational energy     622113.0 (Joules/Mol)
                                  148.68857 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     51.84   103.61   124.30   179.23   218.80
          (Kelvin)            238.99   311.31   346.18   364.48   386.30
                              408.77   512.19   538.54   643.96   679.24
                              752.52   820.89   857.87   908.55  1072.42
                             1134.81  1172.81  1247.87  1268.72  1319.16
                             1367.60  1377.91  1396.43  1441.12  1444.64
                             1465.04  1474.04  1511.61  1567.01  1667.30
                             1689.45  1707.35  1763.65  1791.94  1817.05
                             1844.01  1847.32  1856.32  1892.49  1929.62
                             1984.20  1998.03  2023.12  2047.87  2116.99
                             2129.53  2133.76  2135.57  2149.22  2161.18
                             2166.09  2170.24  2439.85  2499.20  4335.42
                             4341.91  4357.73  4374.93  4391.39  4417.67
                             4422.99  4438.89  4439.46  4455.24  4455.42
                             4458.96  4487.51  4508.70  4526.54  4563.11
 
 Zero-point correction=                           0.236950 (Hartree/Particle)
 Thermal correction to Energy=                    0.249428
 Thermal correction to Enthalpy=                  0.250372
 Thermal correction to Gibbs Free Energy=         0.198137
 Sum of electronic and zero-point Energies=           -465.874851
 Sum of electronic and thermal Energies=              -465.862373
 Sum of electronic and thermal Enthalpies=            -465.861429
 Sum of electronic and thermal Free Energies=         -465.913664
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.518             46.420            109.939
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.712
 Vibrational            154.741             40.458             38.258
 Vibration     1          0.594              1.982              5.466
 Vibration     2          0.598              1.967              4.098
 Vibration     3          0.601              1.959              3.740
 Vibration     4          0.610              1.928              3.028
 Vibration     5          0.619              1.900              2.646
 Vibration     6          0.624              1.884              2.479
 Vibration     7          0.645              1.816              1.989
 Vibration     8          0.658              1.778              1.798
 Vibration     9          0.664              1.757              1.707
 Vibration    10          0.673              1.731              1.606
 Vibration    11          0.683              1.703              1.509
 Vibration    12          0.731              1.563              1.140
 Vibration    13          0.745              1.525              1.062
 Vibration    14          0.807              1.366              0.803
 Vibration    15          0.829              1.312              0.732
 Vibration    16          0.878              1.199              0.603
 Vibration    17          0.927              1.095              0.503
 Vibration    18          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.730449D-91        -91.136410       -209.849339
 Total V=0       0.712975D+18         17.853075         41.108223
 Vib (Bot)       0.861463-105       -105.064763       -241.920558
 Vib (Bot)    1  0.574367D+01          0.759190          1.748099
 Vib (Bot)    2  0.286309D+01          0.456835          1.051902
 Vib (Bot)    3  0.238134D+01          0.376821          0.867663
 Vib (Bot)    4  0.163868D+01          0.214495          0.493893
 Vib (Bot)    5  0.133258D+01          0.124693          0.287116
 Vib (Bot)    6  0.121474D+01          0.084485          0.194534
 Vib (Bot)    7  0.915557D+00         -0.038315         -0.088223
 Vib (Bot)    8  0.814711D+00         -0.088996         -0.204921
 Vib (Bot)    9  0.769207D+00         -0.113957         -0.262395
 Vib (Bot)   10  0.720352D+00         -0.142455         -0.328015
 Vib (Bot)   11  0.675234D+00         -0.170546         -0.392696
 Vib (Bot)   12  0.516239D+00         -0.287149         -0.661185
 Vib (Bot)   13  0.484960D+00         -0.314294         -0.723688
 Vib (Bot)   14  0.383902D+00         -0.415779         -0.957367
 Vib (Bot)   15  0.356660D+00         -0.447745         -1.030972
 Vib (Bot)   16  0.307754D+00         -0.511796         -1.178453
 Vib (Bot)   17  0.269604D+00         -0.569274         -1.310801
 Vib (Bot)   18  0.251397D+00         -0.599640         -1.380721
 Vib (V=0)       0.840855D+04          3.924721          9.037005
 Vib (V=0)    1  0.626540D+01          0.796949          1.835042
 Vib (V=0)    2  0.340642D+01          0.532299          1.225663
 Vib (V=0)    3  0.293326D+01          0.467351          1.076116
 Vib (V=0)    4  0.221327D+01          0.345034          0.794469
 Vib (V=0)    5  0.192329D+01          0.284046          0.654039
 Vib (V=0)    6  0.181362D+01          0.258547          0.595326
 Vib (V=0)    7  0.154319D+01          0.188419          0.433851
 Vib (V=0)    8  0.145591D+01          0.163133          0.375628
 Vib (V=0)    9  0.141743D+01          0.151502          0.348846
 Vib (V=0)   10  0.137687D+01          0.138894          0.319815
 Vib (V=0)   11  0.134020D+01          0.127171          0.292821
 Vib (V=0)   12  0.121868D+01          0.085890          0.197769
 Vib (V=0)   13  0.119655D+01          0.077932          0.179445
 Vib (V=0)   14  0.113038D+01          0.053225          0.122555
 Vib (V=0)   15  0.111417D+01          0.046952          0.108111
 Vib (V=0)   16  0.108712D+01          0.036278          0.083534
 Vib (V=0)   17  0.106805D+01          0.028594          0.065839
 Vib (V=0)   18  0.105964D+01          0.025160          0.057932
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114979D+07          6.060619         13.955092
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005070   -0.000002792   -0.000001900
      2        6           0.000000477    0.000008275   -0.000012231
      3        6           0.000002361   -0.000001689    0.000007765
      4        6          -0.000000935    0.000002649    0.000002855
      5        6           0.000001046   -0.000004946   -0.000004627
      6        6          -0.000001547    0.000003038    0.000001242
      7        8          -0.000001311   -0.000000360    0.000005208
      8        6           0.000001029   -0.000001641    0.000004791
      9        6          -0.000008766   -0.000000465    0.000005282
     10        6           0.000005641   -0.000004578   -0.000002329
     11        6           0.000004866   -0.000006368   -0.000016457
     12        1          -0.000001472    0.000002830    0.000002842
     13        1           0.000001791    0.000001951    0.000003175
     14        1          -0.000001718   -0.000003327    0.000001251
     15        1          -0.000001260    0.000001603   -0.000001259
     16        1          -0.000001065   -0.000000265    0.000002730
     17        1           0.000001053    0.000000473   -0.000000476
     18        1           0.000000024    0.000003758   -0.000000882
     19        1           0.000002114    0.000002156    0.000000743
     20        1           0.000001628   -0.000001322    0.000001742
     21        1           0.000000523    0.000000298   -0.000000754
     22        1           0.000001204    0.000001068    0.000000263
     23        1           0.000001596   -0.000001148   -0.000001522
     24        1          -0.000000119    0.000001189   -0.000000490
     25        1          -0.000002879    0.000002462    0.000002264
     26        1          -0.000000250   -0.000001128   -0.000002431
     27        1           0.000001040   -0.000001724    0.000003204
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016457 RMS     0.000003694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163520D+03 -0.641094D+01  0.655458D+01
      2  -0.641094D+01  0.118780D+03 -0.298621D+01
      3   0.655458D+01 -0.298621D+01  0.101855D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.277505D+01 -0.181490D+01 -0.104422D+02
      2   0.400237D+02 -0.139383D+02 -0.343898D+02
      3   0.125683D+01  0.204233D+02  0.116136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.555568D+02 -0.185942D+02  0.352195D+02
      2  -0.114344D+02  0.184181D+02 -0.172300D+02
      3  -0.441223D+02  0.176119D+00 -0.179896D+02
      4  -0.168331D+01 -0.348318D+02 -0.333862D+02
      5   0.314623D+02 -0.313149D+02 -0.864092D+02
      6  -0.106178D+02 -0.384358D+01  0.248813D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.293796D+01 -0.193671D+01 -0.381976D+01 -0.142713D+01 -0.375163D+01
      2  -0.193671D+01 -0.362142D+01  0.213729D+01 -0.375163D+01 -0.175743D+01
      3  -0.381976D+01  0.213729D+01  0.340542D+01  0.214263D+01 -0.178200D+01
                 6             7             8             9            10 
      1   0.214263D+01 -0.357857D+01  0.262337D+01  0.321020D+01 -0.190684D+02
      2  -0.178200D+01  0.262337D+01 -0.134548D+01  0.784053D+00  0.444320D+01
      3   0.137163D+01  0.321020D+01  0.784053D+00  0.820374D+00  0.301259D+01
                11            12            13            14            15 
      1   0.444320D+01  0.301259D+01  0.105497D+02  0.174976D+01 -0.238994D+01
      2   0.264132D+01 -0.216343D+01  0.174976D+01  0.445794D+01  0.138257D+01
      3  -0.216343D+01 -0.313999D+01 -0.238994D+01  0.138257D+01 -0.840249D+00
                16            17            18            19            20 
      1   0.123254D+02 -0.381217D+01 -0.495897D+01  0.332195D+02 -0.492464D+01
      2  -0.381217D+01  0.227401D+01 -0.279027D+00 -0.492464D+01  0.252581D+01
      3  -0.495897D+01 -0.279027D+00 -0.258732D+01  0.591573D+00  0.751760D+00
                21            22            23            24            25 
      1   0.591573D+00 -0.896479D+01  0.354543D+01  0.185227D+01 -0.441189D+01
      2   0.751760D+00  0.354543D+01  0.213040D+01 -0.187971D+01  0.213046D+01
      3   0.270134D+01  0.185227D+01 -0.187971D+01 -0.196202D+01  0.639872D+01
                26            27            28            29            30 
      1   0.213046D+01  0.639872D+01 -0.491644D+02  0.572304D+01 -0.455755D+01
      2  -0.251350D+01 -0.180557D+01  0.572304D+01 -0.255731D+01 -0.359990D-01
      3  -0.180557D+01  0.511789D+01 -0.455755D+01 -0.359990D-01 -0.280275D+01
                31            32            33            34            35 
      1   0.142218D+02 -0.461299D+01  0.102221D+01 -0.135004D+02  0.451977D+00
      2  -0.461299D+01 -0.226092D+01  0.126959D+01  0.451977D+00  0.112846D+01
      3   0.102221D+01  0.126959D+01  0.166601D+01 -0.643413D+01  0.105101D+01
                36            37            38            39            40 
      1  -0.643413D+01  0.498637D+02 -0.761266D+01  0.658219D+01 -0.107776D+02
      2   0.105101D+01 -0.761266D+01  0.142011D+01 -0.499346D+00  0.370127D+01
      3  -0.492154D+01  0.658219D+01 -0.499346D+00  0.286275D+01 -0.421771D+00
                41            42            43            44            45 
      1   0.370127D+01 -0.421771D+00  0.141972D+02 -0.119802D+01  0.575315D+01
      2   0.276206D+01 -0.159074D+01 -0.119802D+01 -0.170088D+01 -0.122174D+01
      3  -0.159074D+01 -0.196092D+01  0.575315D+01 -0.122174D+01  0.275734D+01
                46            47            48            49            50 
      1  -0.367249D+02  0.758385D+01 -0.707471D+01  0.668873D+01 -0.375451D+01
      2   0.758385D+01 -0.178017D+01  0.186213D+01 -0.375451D+01 -0.135398D+01
      3  -0.707471D+01  0.186213D+01 -0.111212D+01  0.233416D+01 -0.106516D+00
                51            52            53            54            55 
      1   0.233416D+01 -0.953011D+01  0.279147D+01 -0.216763D+01  0.292277D+02
      2  -0.106516D+00  0.279147D+01  0.105978D+00  0.810003D+00 -0.670424D+01
      3   0.117721D+01 -0.216763D+01  0.810003D+00 -0.895098D+00  0.514378D+01
                56            57            58            59            60 
      1  -0.670424D+01  0.514378D+01 -0.194400D+02  0.710731D+01 -0.359529D+01
      2   0.309081D+01 -0.124979D+01  0.710731D+01 -0.580151D+01  0.189594D+01
      3  -0.124979D+01  0.216769D+01 -0.359529D+01  0.189594D+01 -0.193935D+01
                61            62            63            64            65 
      1   0.101046D+02 -0.195302D+01  0.576822D+01  0.563885D+01 -0.266828D+01
      2  -0.195302D+01  0.111620D+01 -0.262175D+01 -0.266828D+01 -0.311014D+01
      3   0.576822D+01 -0.262175D+01  0.359763D+01 -0.214443D+01  0.263905D+01
                66            67            68            69            70 
      1  -0.214443D+01 -0.213843D+01 -0.266213D+01  0.289048D+01 -0.394878D+01
      2   0.263905D+01 -0.266213D+01 -0.320996D+01 -0.504264D+00  0.296514D+01
      3   0.279085D+01  0.289048D+01 -0.504264D+00  0.159534D+01  0.370474D+01
                71            72            73            74            75 
      1   0.296514D+01  0.370474D+01  0.228844D+01  0.182475D+01  0.154658D+01
      2  -0.850535D+00  0.723448D+00  0.182475D+01 -0.227403D+01 -0.829538D+00
      3   0.723448D+00  0.425035D+01  0.154658D+01 -0.829538D+00  0.298092D+01
                76            77            78            79            80 
      1   0.297538D+01 -0.308648D+01 -0.177773D+01  0.627430D-01 -0.122410D+01
      2  -0.308648D+01 -0.557054D+01 -0.343585D+00 -0.122410D+01 -0.100675D+01
      3  -0.177773D+01 -0.343585D+00  0.148212D+01  0.475820D+01  0.192541D+01
                81            82            83            84            85 
      1   0.475820D+01  0.285797D+01 -0.245464D+01 -0.208708D+01 -0.271853D+01
      2   0.192541D+01 -0.245464D+01 -0.164535D+01  0.170624D+01 -0.218570D+01
      3  -0.121629D+01 -0.208708D+01  0.170624D+01 -0.909100D+00  0.146923D+01
                86            87            88            89            90 
      1  -0.218570D+01  0.146923D+01 -0.170165D+01  0.211149D+01 -0.124494D+01
      2   0.939829D+00  0.286503D+01  0.211149D+01  0.409917D+01  0.260343D+01
      3   0.286503D+01  0.230954D+01 -0.124494D+01  0.260343D+01 -0.423598D+00
                91            92            93            94            95 
      1  -0.811470D+01 -0.200683D+01 -0.206847D+01  0.579409D+00  0.350653D+01
      2  -0.200683D+01  0.298763D+01  0.172225D-01  0.350653D+01  0.887612D+00
      3  -0.206847D+01  0.172225D-01  0.168541D+01 -0.214720D-01 -0.120899D+01
                96            97            98            99           100 
      1  -0.214720D-01 -0.313739D+01 -0.172086D+00  0.689293D+00 -0.663405D+01
      2  -0.120899D+01 -0.172086D+00 -0.128443D+01 -0.259149D+01 -0.157359D+01
      3  -0.189219D+01  0.689293D+00 -0.259149D+01  0.380254D+01 -0.278841D+01
               101           102           103           104           105 
      1  -0.157359D+01 -0.278841D+01 -0.568258D+00 -0.988821D+00 -0.193974D+00
      2  -0.120570D+01 -0.474625D+00 -0.988821D+00 -0.190623D+00 -0.664541D+00
      3  -0.474625D+00 -0.218593D+01 -0.193974D+00 -0.664541D+00 -0.427858D+00
               106           107           108           109           110 
      1  -0.463975D+01 -0.707135D+00 -0.315355D+01 -0.328295D+01 -0.162853D+01
      2  -0.707135D+00 -0.133458D+01 -0.103121D+01 -0.162853D+01 -0.775515D+00
      3  -0.315355D+01 -0.103121D+01 -0.281086D+01  0.196881D+01  0.849054D+00
               111           112           113           114           115 
      1   0.196881D+01 -0.103061D+01 -0.133372D+01  0.104899D+01  0.406376D+01
      2   0.849054D+00 -0.133372D+01 -0.141658D+01  0.144260D+01  0.179776D+01
      3  -0.201316D+01  0.104899D+01  0.144260D+01 -0.137903D+01 -0.392132D+01
               116           117           118           119           120 
      1   0.179776D+01 -0.392132D+01 -0.463028D+01  0.108465D+01 -0.187072D+01
      2   0.227920D+01 -0.204996D+01  0.108465D+01 -0.602915D+00  0.732968D-01
      3  -0.204996D+01  0.524962D+01 -0.187072D+01  0.732968D-01 -0.163779D+01
               121           122           123           124           125 
      1   0.428793D+01 -0.120521D+01  0.134490D+00 -0.330881D+01 -0.730798D-01
      2  -0.120521D+01  0.251308D+00 -0.108204D+01 -0.730798D-01 -0.109595D+01
      3   0.134490D+00 -0.108204D+01  0.103443D+01 -0.317662D+01  0.997442D+00
               126           127           128           129           130 
      1  -0.317662D+01  0.192460D+01 -0.334860D+00  0.108756D+01 -0.346900D+00
      2   0.997442D+00 -0.334860D+00  0.145489D+01 -0.744367D+00  0.941410D+00
      3  -0.864307D+01  0.108756D+01 -0.744367D+00  0.121939D+01 -0.528944D+00
               131           132           133           134           135 
      1   0.941410D+00 -0.528944D+00  0.178184D+01 -0.655211D+00  0.920847D+00
      2  -0.236063D+01  0.912341D+00 -0.655211D+00  0.178700D+01 -0.176848D+01
      3   0.912341D+00 -0.120124D+01  0.920847D+00 -0.176848D+01  0.300441D+01
               136           137           138           139           140 
      1  -0.731039D+00 -0.104976D+01 -0.531096D+00 -0.382312D+00 -0.379774D+00
      2  -0.104976D+01 -0.614626D-01 -0.174031D+00 -0.379774D+00 -0.721578D+01
      3  -0.531096D+00 -0.174031D+00  0.482533D-01 -0.260026D+00 -0.343656D+01
               141           142           143           144           145 
      1  -0.260026D+00 -0.104156D+01 -0.493936D+00  0.856653D-01  0.231059D+01
      2  -0.343656D+01 -0.493936D+00 -0.469873D+01 -0.349754D+01  0.209132D+01
      3  -0.243365D+01  0.856653D-01 -0.349754D+01 -0.335291D+01  0.716120D+00
               146           147           148           149           150 
      1   0.209132D+01  0.716120D+00  0.203538D+01  0.229937D+01  0.124936D+00
      2   0.268647D+01  0.467380D+00  0.229937D+01  0.553128D+01  0.139691D+01
      3   0.467380D+00  0.697567D+00  0.124936D+00  0.139691D+01  0.143542D+01
               151           152           153           154           155 
      1   0.847968D-01 -0.132836D+00  0.248535D+00  0.186764D+01 -0.864424D+00
      2  -0.132836D+00  0.246361D+00  0.799240D+00 -0.864424D+00  0.145554D+01
      3   0.248535D+00  0.799240D+00  0.318983D+00  0.139597D+01 -0.659757D+00
               156           157           158           159           160 
      1   0.139597D+01 -0.134361D+01  0.139646D+01 -0.825248D+00  0.119937D+01
      2  -0.659757D+00  0.139646D+01 -0.245412D+01  0.127729D+01 -0.721405D+00
      3   0.131024D+01 -0.825248D+00  0.127729D+01 -0.246048D+01  0.681510D+00
               161           162           163           164           165 
      1  -0.721405D+00  0.681510D+00 -0.533293D+01  0.156597D+01  0.360206D+01
      2   0.112868D+01 -0.128651D+01  0.156597D+01 -0.116806D+01 -0.143375D+01
      3  -0.128651D+01  0.265873D+01  0.360206D+01 -0.143375D+01 -0.411122D+01
               166           167           168           169           170 
      1   0.815138D+00 -0.774013D+00 -0.854400D+00  0.251459D+01 -0.105746D+01
      2  -0.774013D+00  0.124395D+01  0.136009D+01 -0.105746D+01  0.107349D+01
      3  -0.854400D+00  0.136009D+01  0.840854D+00 -0.322644D+01  0.125729D+01
               171           172           173           174           175 
      1  -0.322644D+01 -0.249255D+01  0.268915D+00 -0.176813D+01 -0.839435D+00
      2   0.125729D+01  0.268915D+00 -0.424839D-01 -0.187114D+00  0.713660D-01
      3   0.464308D+01 -0.176813D+01 -0.187114D+00 -0.218360D+01 -0.739989D+00
               176           177           178           179           180 
      1   0.713660D-01 -0.739989D+00 -0.232925D+01  0.139946D+00 -0.319530D+01
      2  -0.469601D+00 -0.851657D+00  0.139946D+00 -0.135957D+01  0.138755D+00
      3  -0.851657D+00 -0.128598D+01 -0.319530D+01  0.138755D+00 -0.700849D+01
               181           182           183           184           185 
      1   0.144031D+01  0.148421D+01  0.276495D-01  0.158853D+01  0.106444D+01
      2   0.148421D+01  0.351086D+01 -0.802110D+00  0.106444D+01  0.777798D+01
      3   0.276495D-01 -0.802110D+00  0.592990D+00 -0.311642D+00 -0.114001D+01
               186           187           188           189           190 
      1  -0.311642D+00  0.351887D+00 -0.505302D+00 -0.452388D-01 -0.800231D+01
      2  -0.114001D+01 -0.505302D+00 -0.700939D+00  0.116209D+01  0.331820D+01
      3   0.102793D+01 -0.452388D-01  0.116209D+01 -0.893395D+00  0.201302D+01
               191           192           193           194           195 
      1   0.331820D+01  0.201302D+01  0.174266D+01 -0.178362D+01 -0.838471D+00
      2  -0.196374D+01 -0.873807D+00 -0.178362D+01  0.209607D+01  0.727482D+00
      3  -0.873807D+00 -0.181562D+01 -0.838471D+00  0.727482D+00  0.317169D+00
               196           197           198           199           200 
      1   0.433551D+01 -0.198828D+01 -0.230802D+01 -0.479316D+00  0.136803D+01
      2  -0.198828D+01  0.187173D+01  0.830406D+00  0.136803D+01  0.843660D+00
      3  -0.230802D+01  0.830406D+00  0.163393D+01 -0.704814D+00 -0.148580D+00
               201           202           203           204           205 
      1  -0.704814D+00  0.163636D+01  0.974383D+00 -0.397564D-01 -0.183750D+01
      2  -0.148580D+00  0.974383D+00  0.589950D+01 -0.173706D+01  0.308190D+00
      3  -0.316435D-01 -0.397564D-01 -0.173706D+01  0.126393D+01  0.819208D+00
               206           207           208           209           210 
      1   0.308190D+00  0.819208D+00  0.484620D+00 -0.112736D+01  0.407013D+00
      2  -0.144794D+01  0.882618D+00 -0.112736D+01 -0.267870D+00 -0.144620D-01
      3   0.882618D+00 -0.500180D+00  0.407013D+00 -0.144620D-01  0.996450D-01
               211           212           213           214           215 
      1  -0.194155D+01 -0.367130D+00 -0.322451D-01  0.597835D+00 -0.104386D+00
      2  -0.367130D+00 -0.659432D+01  0.105604D+01 -0.104386D+00  0.145689D+01
      3  -0.322451D-01  0.105604D+01 -0.107053D+01 -0.282257D+00 -0.776258D+00
               216           217           218           219           220 
      1  -0.282257D+00  0.126789D+01  0.407075D+00 -0.592645D+00  0.108727D+01
      2  -0.776258D+00  0.407075D+00 -0.875338D+00  0.171114D+00 -0.218396D-01
      3   0.360432D+00 -0.592645D+00  0.171114D+00 -0.624705D+00  0.120667D-01
               221           222           223           224           225 
      1  -0.218396D-01  0.120667D-01 -0.177087D+01 -0.871621D+00  0.520984D+00
      2   0.142249D+01 -0.119888D+01 -0.871621D+00 -0.226170D+01  0.232233D+01
      3  -0.119888D+01  0.138141D+01  0.520984D+00  0.232233D+01 -0.681581D+01
               226           227           228           229           230 
      1   0.100084D+02  0.284394D+01  0.741812D+00  0.152799D+01  0.126403D+01
      2   0.284394D+01  0.181796D+01  0.185044D+00  0.126403D+01  0.809634D+00
      3   0.741812D+00  0.185044D+00  0.117467D+01  0.171432D+00  0.362510D+00
               231           232           233           234           235 
      1   0.171432D+00  0.148152D+01  0.488771D+00  0.120975D+01 -0.680334D+00
      2   0.362510D+00  0.488771D+00  0.621626D+00  0.673241D+00  0.879386D+00
      3   0.347799D+00  0.120975D+01  0.673241D+00  0.199086D+00  0.117107D+01
               236           237           238           239           240 
      1   0.879386D+00  0.117107D+01  0.218279D+01 -0.714190D+00 -0.372006D+00
      2  -0.248354D+01 -0.568879D+00 -0.714190D+00  0.444594D+01  0.157816D+01
      3  -0.568879D+00 -0.116949D+01 -0.372006D+00  0.157816D+01  0.160272D+01
               241           242           243 
      1   0.163549D+01 -0.138531D+00 -0.654607D+00
      2  -0.138531D+00  0.241218D+01  0.196875D+01
      3  -0.654607D+00  0.196875D+01  0.165417D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.936567D+00 -0.106342D+02  0.176686D+01 -0.111899D+02 -0.281004D+01
      2   0.675621D+01  0.779392D+00  0.531935D+01 -0.368457D+00  0.114935D+02
      3  -0.210657D+01 -0.107602D+02 -0.876471D+00 -0.609362D+01 -0.719793D+01
                 6             7             8             9            10 
      1  -0.854764D+01  0.195119D+01 -0.183728D+01  0.290648D+01 -0.816584D+01
      2  -0.699774D+01 -0.130412D+01 -0.578810D+01 -0.724183D+01 -0.233334D+02
      3  -0.247774D-01  0.108175D+01 -0.213238D-01  0.414166D+01  0.390787D+01
                11            12            13            14            15 
      1   0.589018D+01  0.242312D+01  0.700680D+01 -0.827084D+00 -0.399617D+01
      2   0.803823D+01  0.117660D+02  0.141850D+02 -0.662871D+01  0.218959D+01
      3   0.593243D+01 -0.149511D+01  0.145658D+02  0.146607D+02  0.152352D+01
                16            17            18            19            20 
      1   0.415386D+01  0.564943D+01  0.694496D+00  0.111202D+02 -0.443447D+01
      2   0.133060D+02  0.108126D+01  0.344014D+01  0.254667D+02 -0.609055D+01
      3  -0.282168D+01  0.250311D+00 -0.389955D+01 -0.284499D+01 -0.525147D+01
                21            22            23            24            25 
      1  -0.232226D+01 -0.626041D+01 -0.521203D+01 -0.751666D+00 -0.725413D+01
      2   0.117849D+01 -0.116531D+02  0.564055D+01  0.380982D+01 -0.179266D+02
      3  -0.918825D+00  0.829780D+01 -0.163783D+01 -0.517256D+00 -0.247496D+01
                26            27            28            29            30 
      1   0.514651D+01  0.300519D+01 -0.110585D+02  0.179533D+01  0.118975D+01
      2   0.386734D+01  0.298842D+01 -0.292167D+02  0.296463D+01 -0.746023D+01
      3  -0.468018D+00 -0.165961D+01  0.362332D+01  0.216799D+01  0.222988D+01
                31            32            33            34            35 
      1   0.293794D+01  0.338143D+01 -0.195907D+01  0.552024D+01  0.294395D+01
      2   0.827789D+01 -0.295618D+01  0.192368D+01 -0.395160D+02  0.307394D+01
      3   0.177084D+02 -0.969615D+00  0.940284D+00  0.656847D+01  0.125965D+01
                36            37            38            39            40 
      1  -0.970109D+00  0.890420D+01 -0.158466D+01 -0.234209D+01 -0.739536D+01
      2  -0.101793D+02  0.360858D+02 -0.419332D+01  0.130776D+02 -0.603520D+01
      3   0.582462D+00  0.391542D+01 -0.661437D+01 -0.146155D+01  0.902113D+01
                41            42            43            44            45 
      1   0.119011D+00 -0.231856D+01 -0.516908D+01  0.705506D+00 -0.467832D+00
      2  -0.746088D+00  0.205868D+00  0.126127D+02 -0.242620D+00  0.715144D+01
      3  -0.115130D+02  0.438784D+01 -0.412102D+01  0.249116D+01  0.482475D-01
                46            47            48            49            50 
      1  -0.835980D+01 -0.126781D+01  0.841666D+01 -0.130188D+01  0.697207D+01
      2  -0.206710D+02  0.395447D+01 -0.179417D+02  0.185799D+01 -0.187916D+01
      3  -0.936170D+01  0.771099D+01  0.306050D+01  0.191150D+02  0.276713D+01
                51            52            53            54            55 
      1   0.453393D+01  0.486929D+01  0.156941D+02 -0.333055D+01  0.440064D+01
      2   0.372192D+01 -0.265161D+02 -0.193192D+01 -0.819806D+01  0.159033D+02
      3   0.296196D+01  0.106531D+01  0.562491D+01 -0.130786D+01  0.564522D+01
                56            57            58            59            60 
      1   0.141396D+01 -0.179183D+01 -0.171703D+01 -0.250550D+01 -0.474958D+01
      2  -0.374071D+01  0.183308D+02 -0.104259D+02  0.620987D+01 -0.119702D+02
      3  -0.167646D+02 -0.455691D-02 -0.901607D+01  0.189991D+02 -0.397425D+01
                61            62            63            64            65 
      1   0.932064D+00 -0.111068D+01  0.191822D+01  0.594900D+01 -0.372915D+01
      2   0.145812D+02 -0.503236D+01  0.136666D+02  0.998116D+01 -0.105973D+02
      3   0.255444D+00 -0.754057D+01  0.482785D+01  0.525528D+00 -0.187754D+02
                66            67            68            69            70 
      1  -0.764084D+01 -0.413942D+01  0.393857D+01 -0.427246D+01 -0.109794D+02
      2  -0.834088D+01 -0.990118D+01  0.194204D+00 -0.283105D+01 -0.167370D+02
      3   0.539768D+01 -0.856422D+01 -0.182289D+02  0.389455D+01  0.442106D+01
                71            72            73            74            75 
      1   0.240369D+01 -0.914147D+01  0.432657D+01 -0.381291D+01  0.384909D+01
      2   0.587847D+00 -0.113463D+02 -0.269052D+01  0.185785D+01 -0.892750D+01
      3   0.390712D+01  0.907583D+01  0.752250D+01 -0.165361D+02 -0.764867D+01
                76            77            78            79            80 
      1  -0.302192D+01 -0.315263D+01 -0.481794D-01  0.693961D+01  0.594302D+01
      2   0.547891D+01  0.176848D+01 -0.542937D+01 -0.220897D+02 -0.775791D+01
      3  -0.991439D+01 -0.149026D+02  0.383944D+00 -0.846730D+01  0.112094D+01
                81            82            83            84            85 
      1  -0.165572D+01 -0.414373D+01  0.638489D+01 -0.281547D+01  0.890529D+01
      2   0.513753D+01  0.406452D+01 -0.319710D+01  0.287277D+01 -0.496800D+01
      3   0.117410D+01 -0.110584D+02  0.153376D+00  0.836647D+01  0.862776D+01
                86            87            88            89            90 
      1   0.977925D+01  0.154228D+01 -0.199211D+01  0.910594D+01 -0.132154D+01
      2  -0.410263D+01 -0.150760D+01 -0.115918D+01 -0.533769D+00  0.222479D+00
      3   0.524813D+01 -0.153509D+01  0.108410D+02 -0.948059D+00  0.677367D+01
                91            92            93            94            95 
      1   0.348298D+01 -0.254292D+01 -0.570226D+01  0.334142D+00  0.239352D+01
      2  -0.972026D+01 -0.179251D-01  0.873459D+01  0.460087D+00 -0.327558D+01
      3  -0.171591D+01 -0.187288D+02 -0.402788D+01 -0.962220D+01  0.122399D+01
                96            97            98            99           100 
      1  -0.132856D+01  0.232138D+01  0.105789D+02 -0.678279D+01 -0.361403D+01
      2  -0.470136D+01 -0.153744D+01 -0.100988D+02  0.138981D+02  0.831891D+01
      3   0.441058D+01 -0.307100D+01  0.643809D+01  0.126284D+02  0.413252D+01
               101           102           103           104           105 
      1   0.362992D+00 -0.329891D+01 -0.141578D-01 -0.692921D+00 -0.139426D+01
      2   0.117163D+01  0.907761D+01  0.816540D+00  0.183121D+01  0.147542D+01
      3  -0.365421D+01  0.221938D+01 -0.499634D+00  0.111445D+01 -0.196390D+01
               106           107           108           109           110 
      1  -0.388433D+01  0.414375D+00 -0.402558D+01  0.228748D+01  0.157406D+00
      2   0.759153D+01  0.278511D+01  0.944723D+01 -0.401284D+01 -0.241343D+01
      3   0.377375D+01 -0.476580D+01  0.867604D+00  0.282354D+00 -0.201364D+01
               111           112           113           114           115 
      1  -0.288428D+01  0.166429D+01  0.104696D+01 -0.247133D+01 -0.443609D+01
      2   0.746406D+01 -0.217757D+01 -0.461932D+01  0.463102D+01  0.960373D+01
      3   0.243556D+00 -0.301654D+00 -0.296205D+01  0.298530D+01  0.486469D+00
               116           117           118           119           120 
      1   0.741072D+00  0.742410D+01 -0.193697D+01  0.154554D+01 -0.512323D+00
      2   0.605189D+01 -0.172091D+02 -0.316693D+01  0.141401D+01  0.849818D+00
      3   0.652828D+01 -0.156382D+01  0.862069D+00 -0.177663D+01  0.612857D+00
               121           122           123           124           125 
      1   0.232462D+01 -0.272524D+00  0.844419D+00  0.171547D+01  0.380935D+01
      2   0.494980D+01 -0.728183D+00 -0.612859D+00 -0.342747D+01 -0.895198D+00
      3   0.112361D+01 -0.634009D-01 -0.673875D+00  0.899233D+00 -0.148311D+01
               126           127           128           129           130 
      1  -0.301837D+01  0.299589D+01 -0.180646D+01  0.379113D+01 -0.167614D+01
      2   0.474679D+01 -0.245213D+01  0.932907D+00 -0.403841D+00  0.105981D+01
      3   0.115353D+01 -0.781994D+01  0.178849D+01 -0.476046D+01  0.362652D+01
               131           132           133           134           135 
      1   0.210062D+01 -0.398846D+01  0.280081D+01 -0.248451D+01  0.872984D+01
      2  -0.114209D+01  0.104863D+01 -0.319177D+01  0.203240D+01 -0.293744D+01
      3  -0.574982D+01  0.296414D+01 -0.723386D+01  0.417092D+01 -0.623018D+01
               136           137           138           139           140 
      1  -0.451784D+00 -0.552011D+00  0.400810D+00  0.108158D+00 -0.368337D+01
      2   0.183768D+00 -0.178381D+00  0.437183D+00 -0.672179D+00  0.338721D+01
      3  -0.118183D+01  0.119500D+01  0.652036D+00  0.418079D+01 -0.103690D+02
               141           142           143           144           145 
      1  -0.628548D+01  0.629447D+00 -0.403050D+01 -0.689099D+01  0.389355D+01
      2   0.259202D+01 -0.225434D+01  0.364741D+01  0.386202D+01 -0.775265D+01
      3  -0.459563D+01  0.229617D+01 -0.568893D+01 -0.575892D+01  0.839261D+01
               146           147           148           149           150 
      1   0.566362D+01 -0.116469D+01  0.524643D+01  0.919164D+01 -0.157769D+01
      2  -0.526468D+01 -0.125980D+01 -0.577953D+01 -0.809531D+01 -0.163731D+01
      3   0.563864D+01  0.132959D+01  0.893125D+01  0.105742D+02  0.248041D+01
               151           152           153           154           155 
      1  -0.809745D+00  0.613229D+00  0.141028D+01 -0.387363D+01  0.528474D+01
      2  -0.188986D+01 -0.108676D+01 -0.951824D+00 -0.873917D+01  0.381110D+01
      3  -0.605156D+00 -0.510640D-02  0.172274D+01 -0.309569D+00  0.339850D+00
               156           157           158           159           160 
      1  -0.205844D+01  0.470141D+01 -0.839692D+01  0.260375D+01 -0.235798D+01
      2  -0.369144D+01  0.567063D+01 -0.588145D+01  0.525891D+01 -0.521517D+01
      3   0.480200D-01  0.278055D+01 -0.145858D+01  0.102308D+01 -0.615965D+00
               161           162           163           164           165 
      1   0.474252D+01 -0.415053D+01 -0.846321D+00 -0.183596D+01  0.195139D+01
      2   0.382038D+01 -0.526651D+01  0.391741D+01  0.172820D+00  0.323132D+01
      3   0.269911D+00 -0.119793D+01 -0.215755D+01 -0.250204D+01  0.382287D+00
               166           167           168           169           170 
      1  -0.332939D+00  0.106306D+01  0.427368D+00  0.102336D+01  0.254705D+01
      2  -0.107898D+01 -0.146062D+01  0.944431D-01 -0.273457D+01  0.823392D-01
      3   0.483223D+00  0.188256D+01  0.143128D+01  0.156206D+01  0.166158D+01
               171           172           173           174           175 
      1  -0.277656D+01  0.286944D+01  0.106201D+01  0.424918D+01  0.770875D+00
      2  -0.316285D+01  0.317358D+01  0.640916D+00  0.655609D+01  0.943625D+00
      3  -0.825383D+00 -0.277938D+01 -0.715084D+00 -0.355040D+01  0.152991D+00
               176           177           178           179           180 
      1   0.252033D+01  0.196198D+01  0.518882D+01  0.402431D+01  0.121830D+02
      2   0.270985D+01  0.367247D+01  0.527287D+01  0.159634D+00  0.196844D+02
      3  -0.181220D+01 -0.359032D+01 -0.347099D+01 -0.522022D+01 -0.489665D+01
               181           182           183           184           185 
      1  -0.106476D+01 -0.634403D+00 -0.166596D+01 -0.414522D+00 -0.262496D+01
      2   0.143682D+01  0.315517D+01 -0.541021D+00  0.239621D+01  0.425440D+01
      3   0.979678D+01  0.128177D+02 -0.230598D+01  0.965527D+01  0.263403D+02
               186           187           188           189           190 
      1  -0.366020D+01  0.277877D+00 -0.397961D+00  0.129721D+01 -0.563425D+01
      2  -0.251503D+01 -0.729741D+00 -0.342575D+01  0.228719D+01 -0.990399D+01
      3  -0.422274D+01 -0.156778D+01 -0.337311D+01  0.341139D+01 -0.404112D+01
               191           192           193           194           195 
      1   0.224029D+01  0.479500D+01  0.264076D+01 -0.224050D+01 -0.207520D+01
      2   0.458123D+01  0.951959D+01  0.387522D+01 -0.342051D+01 -0.209795D+01
      3  -0.290680D+01  0.789270D+00 -0.209684D+00  0.402957D+01  0.684350D+00
               196           197           198           199           200 
      1   0.485471D+01 -0.849445D+00 -0.376253D+01  0.316591D+00 -0.105744D+01
      2   0.816997D+01 -0.325890D+01 -0.743869D+01 -0.378689D+00  0.118324D+01
      3   0.781872D+00  0.356501D+01 -0.139936D+01 -0.369622D-01 -0.315122D+00
               201           202           203           204           205 
      1  -0.637695D+00 -0.205325D+01 -0.541716D+01 -0.173330D+01 -0.552754D+01
      2  -0.376878D+00  0.187848D+01  0.843997D+00  0.633684D+00 -0.319654D+01
      3  -0.103040D-01  0.336952D+01 -0.292374D+01  0.296585D+00 -0.147011D+01
               206           207           208           209           210 
      1   0.214820D+01 -0.897728D+00  0.891819D+00  0.679725D-01 -0.204430D+00
      2   0.115697D+00  0.481966D+00  0.222321D+01 -0.251293D+00  0.310350D+00
      3   0.619782D+00 -0.696884D+00  0.306357D+01  0.111986D+01 -0.280573D+00
               211           212           213           214           215 
      1  -0.256359D+00  0.810198D+00 -0.345154D+01 -0.182810D+01  0.274525D+00
      2  -0.207715D+00  0.306171D+01 -0.219874D+01 -0.413199D+01 -0.170305D+01
      3   0.562920D+01  0.133817D+02 -0.238867D+01 -0.186069D+01 -0.295037D+01
               216           217           218           219           220 
      1   0.486600D+00  0.990470D-01 -0.559835D+00  0.151247D+01 -0.126013D+01
      2   0.457181D+00 -0.162946D+01  0.104669D+01 -0.211165D+01  0.164228D+01
      3   0.174213D+01 -0.105759D+01  0.302865D+01 -0.200116D+01  0.149210D+01
               221           222           223           224           225 
      1   0.118650D+01 -0.256732D+01 -0.134992D+01 -0.298576D+01  0.122959D+02
      2  -0.380023D+01  0.455616D+01 -0.238015D+00  0.818505D+01 -0.237504D+02
      3  -0.526891D+01  0.409429D+01 -0.425549D+00  0.612477D+01 -0.847333D+01
               226           227           228           229           230 
      1  -0.227243D+01 -0.554142D+00 -0.213819D+01 -0.762749D+00 -0.714096D+00
      2   0.549556D+01  0.152034D+01  0.638716D+01  0.131668D+01  0.161585D+01
      3   0.491513D+01 -0.475995D+01  0.761509D+00 -0.915326D-01 -0.927818D+00
               231           232           233           234           235 
      1  -0.142684D+01 -0.135985D+01 -0.131327D+00 -0.408506D+00 -0.105194D+01
      2   0.162164D+01  0.333052D+01  0.203308D+01  0.121024D+01  0.393683D+01
      3  -0.104394D+01  0.484230D+00 -0.193640D+01 -0.109688D+01 -0.691238D+01
               236           237           238           239           240 
      1   0.313746D+01  0.283419D+01  0.187928D+01 -0.445890D+01 -0.424644D+01
      2  -0.277447D+01 -0.312166D+01 -0.154130D+01  0.572520D+01  0.506394D+01
      3   0.107851D+02  0.474317D+01  0.731714D+01 -0.174354D+02 -0.664865D+01
               241           242           243 
      1   0.569188D+00 -0.426187D+01 -0.424476D+01
      2  -0.243780D+01  0.743069D+01  0.571749D+01
      3   0.368922D+01 -0.963142D+01 -0.914329D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.613303D+01  0.609648D+01  0.701265D+01  0.419962D+01  0.184913D+02
      2   0.495556D+01 -0.184813D+02 -0.113575D+02 -0.157725D+02 -0.103867D+02
      3  -0.110886D+02  0.123848D+02  0.434483D+01  0.115729D+02 -0.810464D+01
      4   0.772883D+01  0.623112D+01 -0.124543D+02  0.770589D+01 -0.286880D+01
      5   0.204206D+02 -0.127214D+02 -0.247153D+02 -0.125419D+02 -0.319068D+01
      6  -0.846230D+01 -0.698738D+01  0.115782D+02 -0.768118D+01 -0.576320D+01
                 6             7             8             9            10 
      1  -0.907609D+01  0.402533D+01 -0.110679D+02 -0.168966D+02 -0.281597D+01
      2  -0.435046D+00 -0.859917D+01  0.149226D+01  0.857376D+01 -0.167160D+00
      3   0.951114D+01  0.457384D+01  0.957566D+01  0.832282D+01  0.298313D+01
      4   0.715521D+01 -0.143364D+02  0.759333D+01  0.371241D+01 -0.156139D+02
      5   0.164542D+01 -0.238818D+02  0.568388D+01  0.781028D+01 -0.103433D+02
      6  -0.391129D+01  0.113702D+02 -0.303253D+01  0.552655D+01  0.700042D+01
                11            12            13            14            15 
      1  -0.919838D+01 -0.152852D+01 -0.110446D+01 -0.240533D+02  0.821614D+01
      2   0.109841D+02  0.894053D+00  0.304989D+01  0.105387D+02 -0.143274D+01
      3  -0.178567D+01  0.634466D+00 -0.194542D+01  0.135146D+02 -0.678339D+01
      4  -0.135640D+02  0.113191D+02 -0.174699D+02 -0.184889D+02 -0.730269D+01
      5   0.105206D+02  0.133960D+02  0.120590D+02 -0.215119D+01  0.537815D+01
      6  -0.636380D+01 -0.219387D+01 -0.260607D+01  0.943365D+01 -0.126396D+01
                16            17            18            19            20 
      1  -0.141584D+01  0.133882D+02  0.147292D+02  0.325661D+02  0.640396D+01
      2  -0.509570D+01 -0.347739D+01 -0.991066D+01 -0.150618D+02 -0.842914D+01
      3   0.651154D+01 -0.991085D+01 -0.481856D+01 -0.175044D+02  0.202518D+01
      4   0.172198D+02 -0.127056D+02  0.145721D+01  0.876388D+01 -0.603481D+01
      5   0.203149D+02  0.153398D+01  0.881741D+01 -0.537426D+01 -0.192464D+01
      6  -0.280962D+01 -0.110034D+01 -0.761298D+01 -0.669555D+01 -0.800134D+00
                21            22            23            24            25 
      1   0.528444D+01  0.349663D+01  0.195647D+01 -0.335639D+01  0.178085D+02
      2   0.237247D+01 -0.499286D+01 -0.625805D+01  0.774888D+00  0.726357D+01
      3  -0.765691D+01  0.149622D+01  0.430158D+01  0.258151D+01 -0.250720D+02
      4  -0.432558D+01 -0.793183D+01 -0.255343D+01  0.467903D+01 -0.110846D+02
      5  -0.647078D+01 -0.476354D+01  0.122154D+01  0.407012D+01 -0.161149D+02
      6   0.149956D+00 -0.191979D+01 -0.386039D+01  0.280416D+01 -0.163853D+01
                26            27            28            29            30 
      1  -0.797408D+01  0.114917D+02 -0.108064D+03  0.107400D+02 -0.124979D+02
      2   0.376110D+01  0.132218D+02  0.448067D+02 -0.560458D+01  0.435810D+01
      3   0.421298D+01 -0.247135D+02  0.632578D+02 -0.513545D+01  0.813985D+01
      4   0.899447D+01  0.197877D+01  0.180973D+02 -0.909367D+01  0.133194D+01
      5   0.503578D+01 -0.145375D+02 -0.221898D+01 -0.871798D+00 -0.900603D+01
      6   0.347247D+01  0.944442D+00  0.718450D+01  0.232825D+01  0.132056D+01
                31            32            33            34            35 
      1   0.437739D+02 -0.682461D+01  0.175265D+01 -0.388648D+02 -0.436850D+00
      2  -0.208237D+02  0.217365D+01  0.407652D+00  0.114932D+02  0.288323D+01
      3  -0.229503D+02  0.465097D+01 -0.216031D+01  0.273716D+02 -0.244638D+01
      4  -0.151882D+02 -0.313750D+01  0.102288D+01  0.783477D+01 -0.301525D+01
      5   0.652700D+01  0.219476D+01  0.266974D+01 -0.658585D+01 -0.183006D+00
      6   0.134337D+01  0.862108D+01 -0.102173D+01 -0.144797D+00  0.282760D+01
                36            37            38            39            40 
      1  -0.285649D+02  0.158012D+03 -0.246248D+02  0.271935D+02 -0.203267D+02
      2  -0.540668D+00 -0.686143D+02  0.102145D+02 -0.934302D+01  0.583342D+01
      3   0.291056D+02 -0.893982D+02  0.144103D+02 -0.178505D+02  0.144933D+02
      4   0.406718D+01 -0.473325D+02  0.145250D+02 -0.556235D+01  0.159205D+02
      5  -0.123765D+02  0.212173D+02 -0.182574D+01  0.189680D+02  0.352775D+01
      6   0.354768D+01 -0.863815D+01 -0.778153D+00 -0.288062D+01 -0.110249D+01
                41            42            43            44            45 
      1   0.120526D+02 -0.680647D+01  0.377430D+02 -0.867274D+01  0.824490D+01
      2  -0.107557D+02  0.208729D+01 -0.166511D+02  0.680171D+01 -0.768815D+01
      3  -0.129690D+01  0.471918D+01 -0.210919D+02  0.187104D+01 -0.556758D+00
      4   0.116698D+02 -0.460023D+01 -0.658341D+01 -0.535520D+01 -0.541699D+01
      5  -0.638843D+01 -0.280176D+01  0.278215D+02 -0.551810D+01  0.625528D+01
      6   0.378631D+01  0.409420D+01 -0.816792D+01  0.661519D+01  0.571065D+00
                46            47            48            49            50 
      1  -0.144763D+03  0.366304D+02 -0.238722D+02  0.453002D+02 -0.239561D+02
      2   0.648885D+02 -0.165494D+02  0.136915D+02 -0.284845D+02  0.607359D+01
      3   0.798742D+02 -0.200810D+02  0.101807D+02 -0.168156D+02  0.178825D+02
      4   0.665093D+02 -0.327756D+02  0.147955D+02 -0.366431D+02 -0.737781D+01
      5  -0.379032D+02  0.108520D+02 -0.234542D+02  0.191466D+02 -0.201363D+01
      6   0.145542D+02 -0.570851D+01  0.239561D+01  0.784739D-01  0.343813D+01
                51            52            53            54            55 
      1   0.117335D+02 -0.461223D+02  0.126610D+02 -0.150926D+02  0.154541D+03
      2  -0.103123D+02  0.219502D+02 -0.405335D+01  0.338374D+01 -0.752898D+02
      3  -0.142125D+01  0.241721D+02 -0.860770D+01  0.117089D+02 -0.792508D+02
      4  -0.196578D+01  0.269342D+02 -0.433294D+01  0.681250D+01 -0.655994D+02
      5   0.551241D+01 -0.101930D+02  0.477376D+01 -0.121186D+02  0.330772D+02
      6  -0.606416D+01  0.540196D+00  0.136983D+01  0.468388D+01 -0.735345D+01
                56            57            58            59            60 
      1  -0.401511D+02  0.242190D+02 -0.849421D+02  0.304423D+02 -0.122533D+02
      2   0.155551D+02 -0.152835D+02  0.339788D+02 -0.354986D+01  0.740570D+01
      3   0.245960D+02 -0.893545D+01  0.509633D+02 -0.268924D+02  0.484759D+01
      4   0.413510D+02 -0.114496D+02  0.682428D+02 -0.507383D+02  0.149504D+02
      5  -0.953073D+01  0.298650D+02 -0.209582D+02  0.124752D+02 -0.169820D+02
      6   0.368770D+01 -0.571249D+01  0.842356D+01 -0.555801D+01  0.115711D+02
                61            62            63            64            65 
      1   0.424972D+02 -0.682606D+01  0.239920D+02 -0.241143D+02  0.281318D+02
      2  -0.247272D+02  0.492991D+01 -0.188030D+02  0.707705D+01 -0.248800D+02
      3  -0.177701D+02  0.189615D+01 -0.518903D+01  0.170372D+02 -0.325181D+01
      4  -0.187076D+02  0.115969D+02 -0.208652D+02  0.228743D+02  0.621188D+01
      5   0.463426D+02 -0.196918D+02  0.297854D+02  0.139651D+02 -0.147330D+02
      6  -0.906613D+01  0.109295D+02 -0.790393D+01 -0.938664D+01  0.139583D+02
                66            67            68            69            70 
      1   0.102181D+02  0.206560D+02  0.284365D+02 -0.176629D+02  0.168015D+02
      2   0.535686D+01 -0.168781D+02 -0.252442D+02  0.112261D+02  0.487691D+01
      3  -0.155749D+02 -0.377786D+01 -0.319228D+01  0.643680D+01 -0.216784D+02
      4  -0.194441D+02  0.827996D+01  0.192417D+01  0.982865D+01 -0.250007D+02
      5  -0.176396D+02 -0.167644D+02  0.766931D+01 -0.103416D+02 -0.232763D+02
      6   0.621827D+01  0.120369D+02  0.374494D+00  0.330939D+01  0.834140D+01
                71            72            73            74            75 
      1  -0.200933D+02 -0.217693D+02  0.164289D-01 -0.123927D+02 -0.202806D+02
      2   0.104252D+02  0.229329D+02 -0.527170D+00  0.996185D+01  0.120939D+02
      3   0.966819D+01 -0.116352D+01  0.510741D+00  0.243085D+01  0.818669D+01
      4   0.131626D+02  0.223104D+01 -0.107828D+02  0.520827D+01 -0.135864D+01
      5  -0.465298D+01 -0.276842D+02 -0.101683D+02  0.305917D+01 -0.217127D+02
      6   0.299573D+01  0.687779D+01 -0.398983D+01  0.624326D+01 -0.710392D+01
                76            77            78            79            80 
      1  -0.155760D+02  0.167368D+02  0.662257D+01 -0.224473D+02  0.214319D+01
      2   0.160225D+02 -0.184012D+01 -0.502149D+01  0.132934D+02 -0.140473D+01
      3  -0.446522D+00 -0.148967D+02 -0.160108D+01  0.915393D+01 -0.738461D+00
      4   0.134400D+02  0.346399D+02  0.453275D+01  0.363201D+01  0.893833D+01
      5   0.951838D+01 -0.171858D+01 -0.112755D+02 -0.345026D+02 -0.144549D+02
      6   0.360679D+01 -0.615052D+00 -0.415189D+01 -0.126864D+02 -0.567905D+01
                81            82            83            84            85 
      1  -0.221478D+02 -0.179111D+02 -0.253094D-02  0.143771D+02  0.739443D+00
      2   0.147941D+02  0.160718D+02  0.587177D+01 -0.136081D+02  0.325823D+01
      3   0.735364D+01  0.183933D+01 -0.586924D+01 -0.769059D+00 -0.399767D+01
      4  -0.195247D+02  0.134119D+01  0.979382D+01  0.252777D+01  0.906949D+01
      5   0.959647D+01  0.627610D+01 -0.288461D+01  0.203357D+01 -0.559887D+01
      6   0.797268D+01  0.953758D+01 -0.609137D+01  0.334257D+01 -0.386200D+01
                86            87            88            89            90 
      1   0.944106D+01  0.501231D+01  0.167177D+02  0.100689D+02  0.147037D+02
      2  -0.456166D+01 -0.876340D+01 -0.161209D+02 -0.164477D+02 -0.165393D+02
      3  -0.487940D+01  0.375109D+01 -0.596789D+00  0.637880D+01  0.183555D+01
      4  -0.283105D+01 -0.125928D+02  0.673736D+00 -0.179534D+02 -0.257687D+01
      5  -0.644616D+01 -0.401275D+01  0.358222D+01 -0.517127D+01 -0.524510D+00
      6  -0.165005D+02 -0.142752D+02  0.352251D+01 -0.192009D+02 -0.276123D+01
                91            92            93            94            95 
      1  -0.557751D+02 -0.280069D+02 -0.143230D+02 -0.122594D+02  0.191998D+02
      2   0.235900D+02  0.215398D+02  0.108121D+02  0.132159D+02 -0.542272D+01
      3   0.321852D+02  0.646710D+01  0.351091D+01 -0.956513D+00 -0.137770D+02
      4  -0.252194D+02  0.134375D+02 -0.469355D+01  0.198038D+02  0.137560D+02
      5  -0.123403D+02 -0.169020D+01  0.117920D+02 -0.228867D+01 -0.797648D+01
      6  -0.613805D+01  0.178822D+01  0.727113D+01 -0.240435D+00 -0.807883D+01
                96            97            98            99           100 
      1   0.263171D+01 -0.210902D+02  0.669171D+00  0.207571D+02  0.513556D+02
      2  -0.705594D+01  0.116133D+02 -0.950188D+01 -0.862432D+01 -0.265784D+02
      3   0.442423D+01  0.947692D+01  0.883271D+01 -0.121327D+02 -0.247772D+02
      4  -0.638175D+01 -0.650344D+01 -0.623966D+01 -0.126683D+02  0.227592D+02
      5  -0.976196D+01  0.541179D+01 -0.152370D+02  0.250078D+02  0.233469D+02
      6  -0.399427D+01  0.306722D+01 -0.105212D+02  0.127556D+02  0.567591D+01
               101           102           103           104           105 
      1   0.911396D+01  0.194300D+02  0.351662D+01  0.519372D+01 -0.317063D+00
      2  -0.283975D+01 -0.107567D+02  0.785866D-01 -0.160805D+01  0.163538D+01
      3  -0.627420D+01 -0.867328D+01 -0.359521D+01 -0.358567D+01 -0.131831D+01
      4   0.125582D+02  0.778102D+01  0.109544D+02  0.399414D+01  0.571722D+01
      5   0.363992D+01  0.183735D+02  0.171623D+01  0.593897D+01  0.316386D+01
      6   0.178978D+01  0.520471D+01  0.231873D+01  0.254420D+01  0.380310D+01
               106           107           108           109           110 
      1   0.298365D+02  0.279320D+01  0.170652D+02  0.224867D+02  0.840813D+01
      2  -0.172266D+02  0.633504D+00 -0.127738D+02 -0.127846D+02 -0.386405D+01
      3  -0.126099D+02 -0.342670D+01 -0.429138D+01 -0.970212D+01 -0.454408D+01
      4   0.131835D+02  0.101189D+02  0.116707D+02  0.177719D+02  0.103357D+02
      5   0.257860D+02  0.723453D+01  0.209267D+02 -0.174262D+02 -0.710657D+01
      6   0.750330D+01  0.466822D+01  0.630478D+01 -0.752786D+01 -0.436477D+01
               111           112           113           114           115 
      1  -0.878838D+01  0.648797D+01 -0.600872D+00 -0.989340D+00 -0.149704D+02
      2   0.599889D+01 -0.200751D+01  0.340987D+01 -0.938243D+00  0.113089D+02
      3   0.278949D+01 -0.448046D+01 -0.280900D+01  0.192758D+01  0.366153D+01
      4  -0.922596D+01  0.131909D+02  0.108172D+02 -0.115151D+02 -0.183079D+02
      5   0.179063D+02 -0.790145D+01 -0.102182D+02  0.947591D+01  0.303204D+02
      6   0.634092D+01 -0.627556D+01 -0.732256D+01  0.860687D+01  0.130191D+02
               116           117           118           119           120 
      1  -0.224853D+01  0.848305D+01 -0.988608D+00  0.471773D-01 -0.966716D+00
      2  -0.286213D+00 -0.135110D+02 -0.572215D+01  0.104259D+01 -0.424556D+01
      3   0.253474D+01  0.502796D+01  0.671076D+01 -0.108976D+01  0.521228D+01
      4  -0.177416D+02  0.188544D+02 -0.675766D+00  0.384905D+01  0.504209D+00
      5   0.145709D+02 -0.360806D+02  0.817439D+01 -0.890651D+00  0.113030D+02
      6   0.111681D+02 -0.173646D+02  0.227498D+00  0.116489D+01  0.185537D+00
               121           122           123           124           125 
      1   0.507561D+01 -0.449491D+01  0.257980D+01 -0.809879D+01  0.916505D+00
      2  -0.125175D+01 -0.555388D+00  0.143315D+01 -0.542275D+01  0.308447D+01
      3  -0.382386D+01  0.505030D+01 -0.401295D+01  0.135215D+02 -0.400098D+01
      4   0.387639D+01  0.244735D+00  0.313046D+01  0.134555D+01  0.336690D+01
      5  -0.121089D+01  0.321883D+01 -0.199558D+01  0.157845D+02 -0.282488D+01
      6   0.176435D+01 -0.143263D+01  0.676544D+01  0.145413D+01  0.459235D+01
               126           127           128           129           130 
      1  -0.237762D+02 -0.374647D+01  0.699335D+01 -0.553528D+01  0.462445D+01
      2  -0.187528D+02  0.338768D+01 -0.908574D+01  0.488861D+01 -0.557698D+01
      3   0.425290D+02  0.358798D+00  0.209239D+01  0.646672D+00  0.952522D+00
      4  -0.646987D+00 -0.524988D+01  0.583984D+00 -0.257457D+01  0.167174D+01
      5   0.229828D+02 -0.615525D+00  0.544014D+00 -0.598446D+00  0.467728D+00
      6   0.711581D+00 -0.610739D+01  0.376601D+01 -0.547158D+01  0.265693D+01
               131           132           133           134           135 
      1  -0.131654D+02  0.532207D+01 -0.868475D+01  0.899468D+01 -0.137311D+02
      2   0.155784D+02 -0.553918D+01  0.591763D+01 -0.100804D+02  0.929046D+01
      3  -0.241297D+01  0.217109D+00  0.276713D+01  0.108576D+01  0.444060D+01
      4   0.396085D+00  0.758100D+00 -0.491600D+01 -0.427659D+00 -0.784216D+00
      5  -0.927979D+00  0.168326D+01 -0.232687D+00  0.269529D+01 -0.423834D+01
      6  -0.528782D+01  0.865279D+01 -0.470742D+01  0.114077D+02 -0.132503D+02
               136           137           138           139           140 
      1  -0.123833D+01  0.400098D+01  0.964944D+00  0.215607D+01 -0.306392D+02
      2   0.292067D+01 -0.227504D+01  0.155719D+00  0.384826D+00  0.409245D+02
      3  -0.168234D+01 -0.172595D+01 -0.112066D+01 -0.254090D+01 -0.102853D+02
      4   0.525192D+01  0.788621D+01  0.362008D+01  0.768856D+01  0.207488D+02
      5   0.139062D+01  0.317683D+01  0.358191D+01  0.255108D+01  0.915741D+01
      6   0.397551D+01  0.850556D+00 -0.353100D+00  0.186085D+01  0.266081D+02
               141           142           143           144           145 
      1  -0.147967D+02 -0.207777D-01 -0.204648D+02 -0.181125D+02 -0.841804D+01
      2   0.165873D+02  0.209190D+01  0.214714D+02  0.128055D+02  0.733333D+01
      3  -0.179055D+01 -0.207113D+01 -0.100658D+01  0.530700D+01  0.108471D+01
      4   0.985703D+01  0.519516D+01  0.141214D+02  0.911507D+01  0.269777D+01
      5   0.623224D+01  0.328169D+01  0.961215D+01  0.878355D+01  0.374270D+01
      6   0.188370D+02  0.849313D+00  0.248667D+02  0.218305D+02  0.646969D+01
               146           147           148           149           150 
      1  -0.104338D+02 -0.599472D+01 -0.829264D+01 -0.215273D+02 -0.648554D+01
      2   0.117127D+02  0.183380D+01  0.103773D+02  0.249440D+02  0.186445D+01
      3  -0.127885D+01  0.416092D+01 -0.208463D+01 -0.341668D+01  0.462109D+01
      4   0.428734D+00  0.126378D+01  0.219212D+01 -0.618050D+01 -0.234500D+01
      5   0.484632D+01  0.276591D+01  0.629707D+01  0.279199D+01 -0.210363D+01
      6   0.931125D+01  0.358599D+01  0.685231D+01  0.177877D+02  0.900387D+01
               151           152           153           154           155 
      1  -0.170737D+01 -0.170652D+01 -0.287416D+01 -0.705571D+01  0.287230D+01
      2  -0.245192D+00 -0.162510D+01  0.166314D+01 -0.162502D+01  0.267654D+01
      3   0.195256D+01  0.333162D+01  0.121103D+01  0.868072D+01 -0.554884D+01
      4   0.120602D+01  0.177760D+00 -0.722842D+00  0.277788D+01 -0.276272D+01
      5   0.282175D+01 -0.884479D+00  0.285746D+00  0.213720D+01 -0.913752D+00
      6   0.162119D+01  0.547655D+01  0.262671D+01 -0.238940D+01  0.529621D+01
               156           157           158           159           160 
      1  -0.847740D+01  0.417596D+01 -0.928188D+01  0.980717D+01 -0.468187D+01
      2  -0.187086D+01  0.152747D+01  0.148094D+01  0.427221D+01 -0.154131D+01
      3   0.103483D+02 -0.570344D+01  0.780094D+01 -0.140794D+02  0.622318D+01
      4   0.310446D+01 -0.309689D+01  0.748867D+01 -0.422295D+01  0.304495D+01
      5   0.369002D+01 -0.191162D+01  0.702420D+00  0.351245D+01  0.491236D+01
      6  -0.286662D+01  0.443034D+01 -0.922236D+01  0.590369D+01 -0.320114D+01
               161           162           163           164           165 
      1   0.625306D+01 -0.104066D+02  0.167335D+02 -0.186816D+01 -0.384147D+01
      2   0.256315D+01 -0.674643D+01 -0.175950D+02  0.328245D+01  0.149445D+02
      3  -0.881622D+01  0.171530D+02  0.861553D+00 -0.141429D+01 -0.111030D+02
      4  -0.316614D+01  0.389778D+01 -0.134143D+02  0.971163D+01  0.986967D+01
      5   0.112409D+00 -0.225172D+01 -0.329345D+02  0.104443D+02  0.301429D+02
      6   0.602928D+01 -0.485224D+01  0.849060D+01 -0.710581D+01 -0.965830D+01
               166           167           168           169           170 
      1  -0.126356D+01 -0.166822D+01 -0.117649D+01 -0.357155D+01 -0.924219D+00
      2   0.189654D+01  0.162721D-01 -0.414404D+00  0.128308D+02 -0.207958D+01
      3  -0.632980D+00  0.165195D+01  0.159089D+01 -0.925927D+01  0.300380D+01
      4   0.776491D+01 -0.615606D+01 -0.744462D+01  0.826097D+01 -0.633409D+01
      5   0.668470D+01 -0.785461D+01 -0.614681D+01  0.250951D+02 -0.868898D+01
      6  -0.531899D+01  0.645390D+01  0.836091D+01 -0.789688D+01  0.759478D+01
               171           172           173           174           175 
      1  -0.258458D+01  0.164277D+02 -0.230418D+01  0.103337D+02  0.441000D+01
      2  -0.170296D+02 -0.122306D+02  0.119443D+01 -0.111079D+02 -0.318914D+01
      3   0.196142D+02 -0.419701D+01  0.110976D+01  0.774216D+00 -0.122086D+01
      4  -0.875283D+01 -0.603901D+01  0.315472D+01 -0.160612D+01  0.103599D+01
      5  -0.301483D+02  0.152807D+02  0.996150D+00  0.194109D+02  0.581486D+01
      6   0.109653D+02 -0.342455D+01  0.153451D+00 -0.558160D+01 -0.263481D+00
               176           177           178           179           180 
      1  -0.176377D+01  0.467471D+01  0.126252D+02  0.249481D+01  0.834218D+01
      2  -0.507771D+00 -0.721635D+01 -0.140757D+02 -0.472103D+01 -0.242587D+02
      3   0.227154D+01  0.254165D+01  0.145046D+01  0.222622D+01  0.159165D+02
      4   0.385443D+01  0.477552D+01 -0.455133D+01  0.833506D+01 -0.480997D+01
      5   0.533660D+01  0.820366D+01  0.262112D+02 -0.911140D+00  0.466978D+02
      6  -0.141189D+00  0.201524D+01 -0.811432D+01  0.530253D+01 -0.165927D+02
               181           182           183           184           185 
      1  -0.966188D+01 -0.204742D+02  0.208972D+01 -0.144217D+02 -0.345624D+02
      2   0.990464D+01  0.221050D+02 -0.241808D+01  0.114079D+02  0.468945D+02
      3  -0.242760D+00 -0.163079D+01  0.328364D+00  0.301379D+01 -0.123321D+02
      4   0.412221D+00 -0.588948D+01  0.311410D+01  0.445424D+01 -0.268431D+02
      5  -0.316455D+01  0.138063D+01 -0.715159D+00 -0.706928D+00  0.220621D+01
      6  -0.139602D+01 -0.621797D+01  0.426310D+01 -0.276070D+01 -0.121451D+02
               186           187           188           189           190 
      1   0.673915D+01 -0.367232D+00  0.689999D+01 -0.431571D+01  0.611960D+02
      2  -0.611383D+01 -0.126430D+01 -0.484817D+01  0.350130D+01 -0.239648D+02
      3  -0.625318D+00  0.163153D+01 -0.205182D+01  0.814415D+00 -0.372312D+02
      4   0.344452D+01  0.242427D+01  0.131413D+01 -0.373394D+01 -0.402943D+02
      5  -0.386943D+01  0.261966D+01 -0.408225D+01  0.426023D+01 -0.143402D+02
      6   0.830753D+01  0.109283D+01  0.854915D+01 -0.443943D+01  0.713307D+01
               191           192           193           194           195 
      1  -0.198001D+02 -0.146329D+02 -0.120312D+02  0.595150D+01  0.389232D+01
      2   0.417764D+01  0.487613D+01  0.221184D+00  0.469360D+01  0.171593D+00
      3   0.156224D+02  0.975681D+01  0.118101D+02 -0.106451D+02 -0.406391D+01
      4   0.231356D+02  0.102768D+02  0.199712D+02 -0.169269D+02 -0.734306D+01
      5   0.561299D+01  0.146496D+02  0.486821D+01 -0.547754D+01 -0.234843D+01
      6  -0.388971D+01 -0.691073D+01 -0.381798D+01  0.238773D+01  0.312809D+01
               196           197           198           199           200 
      1  -0.256125D+02  0.833056D+01  0.131882D+02 -0.121888D+01  0.141889D+01
      2   0.862565D+01  0.122539D+00 -0.769065D+01  0.125528D+00 -0.515016D-01
      3   0.169868D+02 -0.845309D+01 -0.549752D+01  0.109335D+01 -0.136739D+01
      4   0.205514D+02 -0.160016D+02 -0.990635D+01  0.323629D+01  0.514763D+01
      5   0.181110D+02 -0.639137D+01 -0.125471D+02 -0.113427D+01 -0.196732D+01
      6  -0.850239D+01  0.451297D+01  0.698612D+01 -0.243295D+01 -0.804172D+00
               201           202           203           204           205 
      1  -0.127916D+01  0.170432D+01 -0.132308D+02  0.572774D+01 -0.110671D+01
      2   0.507073D+00 -0.523415D+00  0.135486D+02 -0.242216D+01  0.253049D+01
      3   0.772083D+00 -0.118090D+01 -0.317894D+00 -0.330558D+01 -0.142378D+01
      4  -0.119849D+01  0.533647D+01  0.900144D+01 -0.298872D+01 -0.136778D+01
      5   0.134764D+01 -0.245536D+01 -0.379674D+01  0.245206D+01  0.164796D+01
      6   0.568682D+00 -0.618457D+00 -0.110798D+02  0.646588D+01  0.215312D+01
               206           207           208           209           210 
      1   0.458210D+01 -0.156474D+01 -0.698831D+00 -0.245068D+01  0.662831D+00
      2  -0.236913D+01  0.109633D+01  0.270670D+01  0.167817D+01 -0.318634D+00
      3  -0.221297D+01  0.468410D+00 -0.200787D+01  0.772512D+00 -0.344197D+00
      4  -0.153387D+01  0.451735D+00 -0.204223D+01  0.446468D+01 -0.937868D+00
      5   0.165641D+01 -0.241124D+00  0.976016D+00 -0.423926D+00  0.684718D+00
      6   0.487218D+01 -0.365275D+01 -0.709700D+00  0.930092D+00  0.705352D-01
               211           212           213           214           215 
      1  -0.474269D+01 -0.203765D+02  0.310431D+01  0.230126D+01  0.444712D+01
      2   0.230089D+01  0.263194D+02 -0.294247D+01 -0.246007D+00 -0.464746D+01
      3   0.244181D+01 -0.594297D+01 -0.161848D+00 -0.205525D+01  0.200346D+00
      4   0.310474D+01 -0.194086D+02  0.288493D+01 -0.150938D+01  0.479126D+01
      5  -0.463714D+00  0.225029D+01 -0.260316D+01 -0.872087D+00 -0.214717D+01
      6   0.470373D+00 -0.164702D+01  0.469894D+01  0.157827D+01  0.377768D+01
               216           217           218           219           220 
      1  -0.400307D+01  0.514075D+01  0.684712D+01 -0.668161D+01  0.499866D+01
      2   0.336107D+01 -0.371788D+01 -0.512525D+01  0.235854D+01 -0.262631D+01
      3   0.642001D+00 -0.142287D+01 -0.172186D+01  0.432307D+01 -0.237235D+01
      4  -0.249826D+01  0.299554D+01 -0.278802D+01 -0.125434D+01  0.193227D+01
      5   0.150235D+01 -0.369303D+01  0.310303D+00 -0.382383D+00 -0.350843D+00
      6  -0.228217D+01 -0.265118D+01  0.108482D+01 -0.257372D+01 -0.104468D+01
               221           222           223           224           225 
      1  -0.834381D+01  0.510927D+01 -0.839242D+01  0.471803D+01 -0.172085D+02
      2   0.642182D+01 -0.407434D+01  0.414493D+01 -0.281898D+01 -0.376156D+01
      3   0.192198D+01 -0.103493D+01  0.424749D+01 -0.189904D+01  0.209701D+02
      4   0.779566D+01 -0.698497D+01 -0.909384D+01 -0.149466D+02  0.133853D+02
      5  -0.752060D+01  0.860840D+01  0.826440D+01  0.154838D+02 -0.438166D+02
      6  -0.603065D+01  0.965962D+01  0.272038D+01  0.130285D+02 -0.235956D+02
               226           227           228           229           230 
      1   0.865022D+02  0.202491D+02  0.611824D+01  0.930776D+01  0.944766D+01
      2  -0.392640D+02 -0.556873D+01 -0.280451D+01 -0.118778D+00 -0.122771D+01
      3  -0.472382D+02 -0.146803D+02 -0.331372D+01 -0.918898D+01 -0.821995D+01
      4   0.428334D+02  0.223385D+02  0.330336D+01  0.167350D+02  0.104411D+02
      5   0.323051D+01  0.102978D+01  0.119782D+02  0.993915D+00  0.225916D+01
      6   0.295242D+01  0.538763D+00  0.407384D+01  0.235819D+00  0.139823D+01
               231           232           233           234           235 
      1   0.444646D+00  0.116089D+02  0.254151D+01  0.795500D+01 -0.661382D+01
      2   0.106997D+01 -0.552967D+01  0.440574D+00 -0.463760D+01  0.636113D+01
      3  -0.151462D+01 -0.607925D+01 -0.298208D+01 -0.331740D+01  0.252684D+00
      4   0.277037D+01  0.681383D+01  0.520886D+01  0.689200D+01 -0.198224D+00
      5   0.252665D+01  0.125263D+02  0.530809D+01  0.247918D+01  0.497576D+01
      6   0.228040D+01  0.420827D+01  0.325870D+01  0.733456D+00  0.410158D+01
               236           237           238           239           240 
      1   0.152058D+02  0.953521D+01  0.146112D+02 -0.220470D+02 -0.845895D+01
      2  -0.149680D+02 -0.639764D+01 -0.985575D+01  0.272728D+02  0.976457D+01
      3  -0.237737D+00 -0.313757D+01 -0.475548D+01 -0.522574D+01 -0.130562D+01
      4  -0.866553D+01  0.287558D+00  0.147880D+01  0.203280D+02  0.673518D+01
      5  -0.191479D+01 -0.533911D+01 -0.225611D+01  0.825813D+01  0.910817D+01
      6  -0.377978D+01 -0.526305D+01 -0.201240D+01  0.886535D+01  0.826968D+01
               241           242           243 
      1   0.108199D+02 -0.949625D+01 -0.138073D+02
      2  -0.556495D+01  0.117430D+02  0.874039D+01
      3  -0.525493D+01 -0.224674D+01  0.506696D+01
      4   0.364224D+01  0.120338D+02  0.838141D+01
      5  -0.167614D+01  0.107274D+02  0.792887D+01
      6  -0.251679D+01  0.109979D+02  0.828349D+01
 Leave Link  716 at Fri Aug 13 12:22:30 2021, MaxMem=  5637144576 cpu:               4.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.163520D+03 -0.641094D+01  0.655458D+01
      2  -0.641094D+01  0.118780D+03 -0.298621D+01
      3   0.655458D+01 -0.298621D+01  0.101855D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.277505D+01 -0.181490D+01 -0.104422D+02
      2   0.400237D+02 -0.139383D+02 -0.343898D+02
      3   0.125683D+01  0.204233D+02  0.116136D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.555568D+02 -0.185942D+02  0.352195D+02
      2  -0.114344D+02  0.184181D+02 -0.172300D+02
      3  -0.441223D+02  0.176119D+00 -0.179896D+02
      4  -0.168331D+01 -0.348318D+02 -0.333862D+02
      5   0.314623D+02 -0.313149D+02 -0.864092D+02
      6  -0.106178D+02 -0.384358D+01  0.248813D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.293796D+01 -0.193671D+01 -0.381976D+01 -0.142713D+01 -0.375163D+01
      2  -0.193671D+01 -0.362142D+01  0.213729D+01 -0.375163D+01 -0.175743D+01
      3  -0.381976D+01  0.213729D+01  0.340542D+01  0.214263D+01 -0.178200D+01
                 6             7             8             9            10 
      1   0.214263D+01 -0.357857D+01  0.262337D+01  0.321020D+01 -0.190684D+02
      2  -0.178200D+01  0.262337D+01 -0.134548D+01  0.784053D+00  0.444320D+01
      3   0.137163D+01  0.321020D+01  0.784053D+00  0.820374D+00  0.301259D+01
                11            12            13            14            15 
      1   0.444320D+01  0.301259D+01  0.105497D+02  0.174976D+01 -0.238994D+01
      2   0.264132D+01 -0.216343D+01  0.174976D+01  0.445794D+01  0.138257D+01
      3  -0.216343D+01 -0.313999D+01 -0.238994D+01  0.138257D+01 -0.840249D+00
                16            17            18            19            20 
      1   0.123254D+02 -0.381217D+01 -0.495897D+01  0.332195D+02 -0.492464D+01
      2  -0.381217D+01  0.227401D+01 -0.279027D+00 -0.492464D+01  0.252581D+01
      3  -0.495897D+01 -0.279027D+00 -0.258732D+01  0.591573D+00  0.751760D+00
                21            22            23            24            25 
      1   0.591573D+00 -0.896479D+01  0.354543D+01  0.185227D+01 -0.441189D+01
      2   0.751760D+00  0.354543D+01  0.213040D+01 -0.187971D+01  0.213046D+01
      3   0.270134D+01  0.185227D+01 -0.187971D+01 -0.196202D+01  0.639872D+01
                26            27            28            29            30 
      1   0.213046D+01  0.639872D+01 -0.491644D+02  0.572304D+01 -0.455755D+01
      2  -0.251350D+01 -0.180557D+01  0.572304D+01 -0.255731D+01 -0.359990D-01
      3  -0.180557D+01  0.511789D+01 -0.455755D+01 -0.359990D-01 -0.280275D+01
                31            32            33            34            35 
      1   0.142218D+02 -0.461299D+01  0.102221D+01 -0.135004D+02  0.451977D+00
      2  -0.461299D+01 -0.226092D+01  0.126959D+01  0.451977D+00  0.112846D+01
      3   0.102221D+01  0.126959D+01  0.166601D+01 -0.643413D+01  0.105101D+01
                36            37            38            39            40 
      1  -0.643413D+01  0.498637D+02 -0.761266D+01  0.658219D+01 -0.107776D+02
      2   0.105101D+01 -0.761266D+01  0.142011D+01 -0.499346D+00  0.370127D+01
      3  -0.492154D+01  0.658219D+01 -0.499346D+00  0.286275D+01 -0.421771D+00
                41            42            43            44            45 
      1   0.370127D+01 -0.421771D+00  0.141972D+02 -0.119802D+01  0.575315D+01
      2   0.276206D+01 -0.159074D+01 -0.119802D+01 -0.170088D+01 -0.122174D+01
      3  -0.159074D+01 -0.196092D+01  0.575315D+01 -0.122174D+01  0.275734D+01
                46            47            48            49            50 
      1  -0.367249D+02  0.758385D+01 -0.707471D+01  0.668873D+01 -0.375451D+01
      2   0.758385D+01 -0.178017D+01  0.186213D+01 -0.375451D+01 -0.135398D+01
      3  -0.707471D+01  0.186213D+01 -0.111212D+01  0.233416D+01 -0.106516D+00
                51            52            53            54            55 
      1   0.233416D+01 -0.953011D+01  0.279147D+01 -0.216763D+01  0.292277D+02
      2  -0.106516D+00  0.279147D+01  0.105978D+00  0.810003D+00 -0.670424D+01
      3   0.117721D+01 -0.216763D+01  0.810003D+00 -0.895098D+00  0.514378D+01
                56            57            58            59            60 
      1  -0.670424D+01  0.514378D+01 -0.194400D+02  0.710731D+01 -0.359529D+01
      2   0.309081D+01 -0.124979D+01  0.710731D+01 -0.580151D+01  0.189594D+01
      3  -0.124979D+01  0.216769D+01 -0.359529D+01  0.189594D+01 -0.193935D+01
                61            62            63            64            65 
      1   0.101046D+02 -0.195302D+01  0.576822D+01  0.563885D+01 -0.266828D+01
      2  -0.195302D+01  0.111620D+01 -0.262175D+01 -0.266828D+01 -0.311014D+01
      3   0.576822D+01 -0.262175D+01  0.359763D+01 -0.214443D+01  0.263905D+01
                66            67            68            69            70 
      1  -0.214443D+01 -0.213843D+01 -0.266213D+01  0.289048D+01 -0.394878D+01
      2   0.263905D+01 -0.266213D+01 -0.320996D+01 -0.504264D+00  0.296514D+01
      3   0.279085D+01  0.289048D+01 -0.504264D+00  0.159534D+01  0.370474D+01
                71            72            73            74            75 
      1   0.296514D+01  0.370474D+01  0.228844D+01  0.182475D+01  0.154658D+01
      2  -0.850535D+00  0.723448D+00  0.182475D+01 -0.227403D+01 -0.829538D+00
      3   0.723448D+00  0.425035D+01  0.154658D+01 -0.829538D+00  0.298092D+01
                76            77            78            79            80 
      1   0.297538D+01 -0.308648D+01 -0.177773D+01  0.627430D-01 -0.122410D+01
      2  -0.308648D+01 -0.557054D+01 -0.343585D+00 -0.122410D+01 -0.100675D+01
      3  -0.177773D+01 -0.343585D+00  0.148212D+01  0.475820D+01  0.192541D+01
                81            82            83            84            85 
      1   0.475820D+01  0.285797D+01 -0.245464D+01 -0.208708D+01 -0.271853D+01
      2   0.192541D+01 -0.245464D+01 -0.164535D+01  0.170624D+01 -0.218570D+01
      3  -0.121629D+01 -0.208708D+01  0.170624D+01 -0.909100D+00  0.146923D+01
                86            87            88            89            90 
      1  -0.218570D+01  0.146923D+01 -0.170165D+01  0.211149D+01 -0.124494D+01
      2   0.939829D+00  0.286503D+01  0.211149D+01  0.409917D+01  0.260343D+01
      3   0.286503D+01  0.230954D+01 -0.124494D+01  0.260343D+01 -0.423598D+00
                91            92            93            94            95 
      1  -0.811470D+01 -0.200683D+01 -0.206847D+01  0.579409D+00  0.350653D+01
      2  -0.200683D+01  0.298763D+01  0.172225D-01  0.350653D+01  0.887612D+00
      3  -0.206847D+01  0.172225D-01  0.168541D+01 -0.214720D-01 -0.120899D+01
                96            97            98            99           100 
      1  -0.214720D-01 -0.313739D+01 -0.172086D+00  0.689293D+00 -0.663405D+01
      2  -0.120899D+01 -0.172086D+00 -0.128443D+01 -0.259149D+01 -0.157359D+01
      3  -0.189219D+01  0.689293D+00 -0.259149D+01  0.380254D+01 -0.278841D+01
               101           102           103           104           105 
      1  -0.157359D+01 -0.278841D+01 -0.568258D+00 -0.988821D+00 -0.193974D+00
      2  -0.120570D+01 -0.474625D+00 -0.988821D+00 -0.190623D+00 -0.664541D+00
      3  -0.474625D+00 -0.218593D+01 -0.193974D+00 -0.664541D+00 -0.427858D+00
               106           107           108           109           110 
      1  -0.463975D+01 -0.707135D+00 -0.315355D+01 -0.328295D+01 -0.162853D+01
      2  -0.707135D+00 -0.133458D+01 -0.103121D+01 -0.162853D+01 -0.775515D+00
      3  -0.315355D+01 -0.103121D+01 -0.281086D+01  0.196881D+01  0.849054D+00
               111           112           113           114           115 
      1   0.196881D+01 -0.103061D+01 -0.133372D+01  0.104899D+01  0.406376D+01
      2   0.849054D+00 -0.133372D+01 -0.141658D+01  0.144260D+01  0.179776D+01
      3  -0.201316D+01  0.104899D+01  0.144260D+01 -0.137903D+01 -0.392132D+01
               116           117           118           119           120 
      1   0.179776D+01 -0.392132D+01 -0.463028D+01  0.108465D+01 -0.187072D+01
      2   0.227920D+01 -0.204996D+01  0.108465D+01 -0.602915D+00  0.732968D-01
      3  -0.204996D+01  0.524962D+01 -0.187072D+01  0.732968D-01 -0.163779D+01
               121           122           123           124           125 
      1   0.428793D+01 -0.120521D+01  0.134490D+00 -0.330881D+01 -0.730798D-01
      2  -0.120521D+01  0.251308D+00 -0.108204D+01 -0.730798D-01 -0.109595D+01
      3   0.134490D+00 -0.108204D+01  0.103443D+01 -0.317662D+01  0.997442D+00
               126           127           128           129           130 
      1  -0.317662D+01  0.192460D+01 -0.334860D+00  0.108756D+01 -0.346900D+00
      2   0.997442D+00 -0.334860D+00  0.145489D+01 -0.744367D+00  0.941410D+00
      3  -0.864307D+01  0.108756D+01 -0.744367D+00  0.121939D+01 -0.528944D+00
               131           132           133           134           135 
      1   0.941410D+00 -0.528944D+00  0.178184D+01 -0.655211D+00  0.920847D+00
      2  -0.236063D+01  0.912341D+00 -0.655211D+00  0.178700D+01 -0.176848D+01
      3   0.912341D+00 -0.120124D+01  0.920847D+00 -0.176848D+01  0.300441D+01
               136           137           138           139           140 
      1  -0.731039D+00 -0.104976D+01 -0.531096D+00 -0.382312D+00 -0.379774D+00
      2  -0.104976D+01 -0.614626D-01 -0.174031D+00 -0.379774D+00 -0.721578D+01
      3  -0.531096D+00 -0.174031D+00  0.482533D-01 -0.260026D+00 -0.343656D+01
               141           142           143           144           145 
      1  -0.260026D+00 -0.104156D+01 -0.493936D+00  0.856653D-01  0.231059D+01
      2  -0.343656D+01 -0.493936D+00 -0.469873D+01 -0.349754D+01  0.209132D+01
      3  -0.243365D+01  0.856653D-01 -0.349754D+01 -0.335291D+01  0.716120D+00
               146           147           148           149           150 
      1   0.209132D+01  0.716120D+00  0.203538D+01  0.229937D+01  0.124936D+00
      2   0.268647D+01  0.467380D+00  0.229937D+01  0.553128D+01  0.139691D+01
      3   0.467380D+00  0.697567D+00  0.124936D+00  0.139691D+01  0.143542D+01
               151           152           153           154           155 
      1   0.847968D-01 -0.132836D+00  0.248535D+00  0.186764D+01 -0.864424D+00
      2  -0.132836D+00  0.246361D+00  0.799240D+00 -0.864424D+00  0.145554D+01
      3   0.248535D+00  0.799240D+00  0.318983D+00  0.139597D+01 -0.659757D+00
               156           157           158           159           160 
      1   0.139597D+01 -0.134361D+01  0.139646D+01 -0.825248D+00  0.119937D+01
      2  -0.659757D+00  0.139646D+01 -0.245412D+01  0.127729D+01 -0.721405D+00
      3   0.131024D+01 -0.825248D+00  0.127729D+01 -0.246048D+01  0.681510D+00
               161           162           163           164           165 
      1  -0.721405D+00  0.681510D+00 -0.533293D+01  0.156597D+01  0.360206D+01
      2   0.112868D+01 -0.128651D+01  0.156597D+01 -0.116806D+01 -0.143375D+01
      3  -0.128651D+01  0.265873D+01  0.360206D+01 -0.143375D+01 -0.411122D+01
               166           167           168           169           170 
      1   0.815138D+00 -0.774013D+00 -0.854400D+00  0.251459D+01 -0.105746D+01
      2  -0.774013D+00  0.124395D+01  0.136009D+01 -0.105746D+01  0.107349D+01
      3  -0.854400D+00  0.136009D+01  0.840854D+00 -0.322644D+01  0.125729D+01
               171           172           173           174           175 
      1  -0.322644D+01 -0.249255D+01  0.268915D+00 -0.176813D+01 -0.839435D+00
      2   0.125729D+01  0.268915D+00 -0.424839D-01 -0.187114D+00  0.713660D-01
      3   0.464308D+01 -0.176813D+01 -0.187114D+00 -0.218360D+01 -0.739989D+00
               176           177           178           179           180 
      1   0.713660D-01 -0.739989D+00 -0.232925D+01  0.139946D+00 -0.319530D+01
      2  -0.469601D+00 -0.851657D+00  0.139946D+00 -0.135957D+01  0.138755D+00
      3  -0.851657D+00 -0.128598D+01 -0.319530D+01  0.138755D+00 -0.700849D+01
               181           182           183           184           185 
      1   0.144031D+01  0.148421D+01  0.276495D-01  0.158853D+01  0.106444D+01
      2   0.148421D+01  0.351086D+01 -0.802110D+00  0.106444D+01  0.777798D+01
      3   0.276495D-01 -0.802110D+00  0.592990D+00 -0.311642D+00 -0.114001D+01
               186           187           188           189           190 
      1  -0.311642D+00  0.351887D+00 -0.505302D+00 -0.452388D-01 -0.800231D+01
      2  -0.114001D+01 -0.505302D+00 -0.700939D+00  0.116209D+01  0.331820D+01
      3   0.102793D+01 -0.452388D-01  0.116209D+01 -0.893395D+00  0.201302D+01
               191           192           193           194           195 
      1   0.331820D+01  0.201302D+01  0.174266D+01 -0.178362D+01 -0.838471D+00
      2  -0.196374D+01 -0.873807D+00 -0.178362D+01  0.209607D+01  0.727482D+00
      3  -0.873807D+00 -0.181562D+01 -0.838471D+00  0.727482D+00  0.317169D+00
               196           197           198           199           200 
      1   0.433551D+01 -0.198828D+01 -0.230802D+01 -0.479316D+00  0.136803D+01
      2  -0.198828D+01  0.187173D+01  0.830406D+00  0.136803D+01  0.843660D+00
      3  -0.230802D+01  0.830406D+00  0.163393D+01 -0.704814D+00 -0.148580D+00
               201           202           203           204           205 
      1  -0.704814D+00  0.163636D+01  0.974383D+00 -0.397564D-01 -0.183750D+01
      2  -0.148580D+00  0.974383D+00  0.589950D+01 -0.173706D+01  0.308190D+00
      3  -0.316435D-01 -0.397564D-01 -0.173706D+01  0.126393D+01  0.819208D+00
               206           207           208           209           210 
      1   0.308190D+00  0.819208D+00  0.484620D+00 -0.112736D+01  0.407013D+00
      2  -0.144794D+01  0.882618D+00 -0.112736D+01 -0.267870D+00 -0.144620D-01
      3   0.882618D+00 -0.500180D+00  0.407013D+00 -0.144620D-01  0.996450D-01
               211           212           213           214           215 
      1  -0.194155D+01 -0.367130D+00 -0.322451D-01  0.597835D+00 -0.104386D+00
      2  -0.367130D+00 -0.659432D+01  0.105604D+01 -0.104386D+00  0.145689D+01
      3  -0.322451D-01  0.105604D+01 -0.107053D+01 -0.282257D+00 -0.776258D+00
               216           217           218           219           220 
      1  -0.282257D+00  0.126789D+01  0.407075D+00 -0.592645D+00  0.108727D+01
      2  -0.776258D+00  0.407075D+00 -0.875338D+00  0.171114D+00 -0.218396D-01
      3   0.360432D+00 -0.592645D+00  0.171114D+00 -0.624705D+00  0.120667D-01
               221           222           223           224           225 
      1  -0.218396D-01  0.120667D-01 -0.177087D+01 -0.871621D+00  0.520984D+00
      2   0.142249D+01 -0.119888D+01 -0.871621D+00 -0.226170D+01  0.232233D+01
      3  -0.119888D+01  0.138141D+01  0.520984D+00  0.232233D+01 -0.681581D+01
               226           227           228           229           230 
      1   0.100084D+02  0.284394D+01  0.741812D+00  0.152799D+01  0.126403D+01
      2   0.284394D+01  0.181796D+01  0.185044D+00  0.126403D+01  0.809634D+00
      3   0.741812D+00  0.185044D+00  0.117467D+01  0.171432D+00  0.362510D+00
               231           232           233           234           235 
      1   0.171432D+00  0.148152D+01  0.488771D+00  0.120975D+01 -0.680334D+00
      2   0.362510D+00  0.488771D+00  0.621626D+00  0.673241D+00  0.879386D+00
      3   0.347799D+00  0.120975D+01  0.673241D+00  0.199086D+00  0.117107D+01
               236           237           238           239           240 
      1   0.879386D+00  0.117107D+01  0.218279D+01 -0.714190D+00 -0.372006D+00
      2  -0.248354D+01 -0.568879D+00 -0.714190D+00  0.444594D+01  0.157816D+01
      3  -0.568879D+00 -0.116949D+01 -0.372006D+00  0.157816D+01  0.160272D+01
               241           242           243 
      1   0.163549D+01 -0.138531D+00 -0.654607D+00
      2  -0.138531D+00  0.241218D+01  0.196875D+01
      3  -0.654607D+00  0.196875D+01  0.165417D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.936567D+00 -0.106342D+02  0.176686D+01 -0.111899D+02 -0.281004D+01
      2   0.675621D+01  0.779392D+00  0.531935D+01 -0.368457D+00  0.114935D+02
      3  -0.210657D+01 -0.107602D+02 -0.876471D+00 -0.609362D+01 -0.719793D+01
                 6             7             8             9            10 
      1  -0.854764D+01  0.195119D+01 -0.183728D+01  0.290648D+01 -0.816584D+01
      2  -0.699774D+01 -0.130412D+01 -0.578810D+01 -0.724183D+01 -0.233334D+02
      3  -0.247774D-01  0.108175D+01 -0.213238D-01  0.414166D+01  0.390787D+01
                11            12            13            14            15 
      1   0.589018D+01  0.242312D+01  0.700680D+01 -0.827084D+00 -0.399617D+01
      2   0.803823D+01  0.117660D+02  0.141850D+02 -0.662871D+01  0.218959D+01
      3   0.593243D+01 -0.149511D+01  0.145658D+02  0.146607D+02  0.152352D+01
                16            17            18            19            20 
      1   0.415386D+01  0.564943D+01  0.694496D+00  0.111202D+02 -0.443447D+01
      2   0.133060D+02  0.108126D+01  0.344014D+01  0.254667D+02 -0.609055D+01
      3  -0.282168D+01  0.250311D+00 -0.389955D+01 -0.284499D+01 -0.525147D+01
                21            22            23            24            25 
      1  -0.232226D+01 -0.626041D+01 -0.521203D+01 -0.751666D+00 -0.725413D+01
      2   0.117849D+01 -0.116531D+02  0.564055D+01  0.380982D+01 -0.179266D+02
      3  -0.918825D+00  0.829780D+01 -0.163783D+01 -0.517256D+00 -0.247496D+01
                26            27            28            29            30 
      1   0.514651D+01  0.300519D+01 -0.110585D+02  0.179533D+01  0.118975D+01
      2   0.386734D+01  0.298842D+01 -0.292167D+02  0.296463D+01 -0.746023D+01
      3  -0.468018D+00 -0.165961D+01  0.362332D+01  0.216799D+01  0.222988D+01
                31            32            33            34            35 
      1   0.293794D+01  0.338143D+01 -0.195907D+01  0.552024D+01  0.294395D+01
      2   0.827789D+01 -0.295618D+01  0.192368D+01 -0.395160D+02  0.307394D+01
      3   0.177084D+02 -0.969615D+00  0.940284D+00  0.656847D+01  0.125965D+01
                36            37            38            39            40 
      1  -0.970109D+00  0.890420D+01 -0.158466D+01 -0.234209D+01 -0.739536D+01
      2  -0.101793D+02  0.360858D+02 -0.419332D+01  0.130776D+02 -0.603520D+01
      3   0.582462D+00  0.391542D+01 -0.661437D+01 -0.146155D+01  0.902113D+01
                41            42            43            44            45 
      1   0.119011D+00 -0.231856D+01 -0.516908D+01  0.705506D+00 -0.467832D+00
      2  -0.746088D+00  0.205868D+00  0.126127D+02 -0.242620D+00  0.715144D+01
      3  -0.115130D+02  0.438784D+01 -0.412102D+01  0.249116D+01  0.482475D-01
                46            47            48            49            50 
      1  -0.835980D+01 -0.126781D+01  0.841666D+01 -0.130188D+01  0.697207D+01
      2  -0.206710D+02  0.395447D+01 -0.179417D+02  0.185799D+01 -0.187916D+01
      3  -0.936170D+01  0.771099D+01  0.306050D+01  0.191150D+02  0.276713D+01
                51            52            53            54            55 
      1   0.453393D+01  0.486929D+01  0.156941D+02 -0.333055D+01  0.440064D+01
      2   0.372192D+01 -0.265161D+02 -0.193192D+01 -0.819806D+01  0.159033D+02
      3   0.296196D+01  0.106531D+01  0.562491D+01 -0.130786D+01  0.564522D+01
                56            57            58            59            60 
      1   0.141396D+01 -0.179183D+01 -0.171703D+01 -0.250550D+01 -0.474958D+01
      2  -0.374071D+01  0.183308D+02 -0.104259D+02  0.620987D+01 -0.119702D+02
      3  -0.167646D+02 -0.455691D-02 -0.901607D+01  0.189991D+02 -0.397425D+01
                61            62            63            64            65 
      1   0.932064D+00 -0.111068D+01  0.191822D+01  0.594900D+01 -0.372915D+01
      2   0.145812D+02 -0.503236D+01  0.136666D+02  0.998116D+01 -0.105973D+02
      3   0.255444D+00 -0.754057D+01  0.482785D+01  0.525528D+00 -0.187754D+02
                66            67            68            69            70 
      1  -0.764084D+01 -0.413942D+01  0.393857D+01 -0.427246D+01 -0.109794D+02
      2  -0.834088D+01 -0.990118D+01  0.194204D+00 -0.283105D+01 -0.167370D+02
      3   0.539768D+01 -0.856422D+01 -0.182289D+02  0.389455D+01  0.442106D+01
                71            72            73            74            75 
      1   0.240369D+01 -0.914147D+01  0.432657D+01 -0.381291D+01  0.384909D+01
      2   0.587847D+00 -0.113463D+02 -0.269052D+01  0.185785D+01 -0.892750D+01
      3   0.390712D+01  0.907583D+01  0.752250D+01 -0.165361D+02 -0.764867D+01
                76            77            78            79            80 
      1  -0.302192D+01 -0.315263D+01 -0.481794D-01  0.693961D+01  0.594302D+01
      2   0.547891D+01  0.176848D+01 -0.542937D+01 -0.220897D+02 -0.775791D+01
      3  -0.991439D+01 -0.149026D+02  0.383944D+00 -0.846730D+01  0.112094D+01
                81            82            83            84            85 
      1  -0.165572D+01 -0.414373D+01  0.638489D+01 -0.281547D+01  0.890529D+01
      2   0.513753D+01  0.406452D+01 -0.319710D+01  0.287277D+01 -0.496800D+01
      3   0.117410D+01 -0.110584D+02  0.153376D+00  0.836647D+01  0.862776D+01
                86            87            88            89            90 
      1   0.977925D+01  0.154228D+01 -0.199211D+01  0.910594D+01 -0.132154D+01
      2  -0.410263D+01 -0.150760D+01 -0.115918D+01 -0.533769D+00  0.222479D+00
      3   0.524813D+01 -0.153509D+01  0.108410D+02 -0.948059D+00  0.677367D+01
                91            92            93            94            95 
      1   0.348298D+01 -0.254292D+01 -0.570226D+01  0.334142D+00  0.239352D+01
      2  -0.972026D+01 -0.179251D-01  0.873459D+01  0.460087D+00 -0.327558D+01
      3  -0.171591D+01 -0.187288D+02 -0.402788D+01 -0.962220D+01  0.122399D+01
                96            97            98            99           100 
      1  -0.132856D+01  0.232138D+01  0.105789D+02 -0.678279D+01 -0.361403D+01
      2  -0.470136D+01 -0.153744D+01 -0.100988D+02  0.138981D+02  0.831891D+01
      3   0.441058D+01 -0.307100D+01  0.643809D+01  0.126284D+02  0.413252D+01
               101           102           103           104           105 
      1   0.362992D+00 -0.329891D+01 -0.141578D-01 -0.692921D+00 -0.139426D+01
      2   0.117163D+01  0.907761D+01  0.816540D+00  0.183121D+01  0.147542D+01
      3  -0.365421D+01  0.221938D+01 -0.499634D+00  0.111445D+01 -0.196390D+01
               106           107           108           109           110 
      1  -0.388433D+01  0.414375D+00 -0.402558D+01  0.228748D+01  0.157406D+00
      2   0.759153D+01  0.278511D+01  0.944723D+01 -0.401284D+01 -0.241343D+01
      3   0.377375D+01 -0.476580D+01  0.867604D+00  0.282354D+00 -0.201364D+01
               111           112           113           114           115 
      1  -0.288428D+01  0.166429D+01  0.104696D+01 -0.247133D+01 -0.443609D+01
      2   0.746406D+01 -0.217757D+01 -0.461932D+01  0.463102D+01  0.960373D+01
      3   0.243556D+00 -0.301654D+00 -0.296205D+01  0.298530D+01  0.486469D+00
               116           117           118           119           120 
      1   0.741072D+00  0.742410D+01 -0.193697D+01  0.154554D+01 -0.512323D+00
      2   0.605189D+01 -0.172091D+02 -0.316693D+01  0.141401D+01  0.849818D+00
      3   0.652828D+01 -0.156382D+01  0.862069D+00 -0.177663D+01  0.612857D+00
               121           122           123           124           125 
      1   0.232462D+01 -0.272524D+00  0.844419D+00  0.171547D+01  0.380935D+01
      2   0.494980D+01 -0.728183D+00 -0.612859D+00 -0.342747D+01 -0.895198D+00
      3   0.112361D+01 -0.634009D-01 -0.673875D+00  0.899233D+00 -0.148311D+01
               126           127           128           129           130 
      1  -0.301837D+01  0.299589D+01 -0.180646D+01  0.379113D+01 -0.167614D+01
      2   0.474679D+01 -0.245213D+01  0.932907D+00 -0.403841D+00  0.105981D+01
      3   0.115353D+01 -0.781994D+01  0.178849D+01 -0.476046D+01  0.362652D+01
               131           132           133           134           135 
      1   0.210062D+01 -0.398846D+01  0.280081D+01 -0.248451D+01  0.872984D+01
      2  -0.114209D+01  0.104863D+01 -0.319177D+01  0.203240D+01 -0.293744D+01
      3  -0.574982D+01  0.296414D+01 -0.723386D+01  0.417092D+01 -0.623018D+01
               136           137           138           139           140 
      1  -0.451784D+00 -0.552011D+00  0.400810D+00  0.108158D+00 -0.368337D+01
      2   0.183768D+00 -0.178381D+00  0.437183D+00 -0.672179D+00  0.338721D+01
      3  -0.118183D+01  0.119500D+01  0.652036D+00  0.418079D+01 -0.103690D+02
               141           142           143           144           145 
      1  -0.628548D+01  0.629447D+00 -0.403050D+01 -0.689099D+01  0.389355D+01
      2   0.259202D+01 -0.225434D+01  0.364741D+01  0.386202D+01 -0.775265D+01
      3  -0.459563D+01  0.229617D+01 -0.568893D+01 -0.575892D+01  0.839261D+01
               146           147           148           149           150 
      1   0.566362D+01 -0.116469D+01  0.524643D+01  0.919164D+01 -0.157769D+01
      2  -0.526468D+01 -0.125980D+01 -0.577953D+01 -0.809531D+01 -0.163731D+01
      3   0.563864D+01  0.132959D+01  0.893125D+01  0.105742D+02  0.248041D+01
               151           152           153           154           155 
      1  -0.809745D+00  0.613229D+00  0.141028D+01 -0.387363D+01  0.528474D+01
      2  -0.188986D+01 -0.108676D+01 -0.951824D+00 -0.873917D+01  0.381110D+01
      3  -0.605156D+00 -0.510640D-02  0.172274D+01 -0.309569D+00  0.339850D+00
               156           157           158           159           160 
      1  -0.205844D+01  0.470141D+01 -0.839692D+01  0.260375D+01 -0.235798D+01
      2  -0.369144D+01  0.567063D+01 -0.588145D+01  0.525891D+01 -0.521517D+01
      3   0.480200D-01  0.278055D+01 -0.145858D+01  0.102308D+01 -0.615965D+00
               161           162           163           164           165 
      1   0.474252D+01 -0.415053D+01 -0.846321D+00 -0.183596D+01  0.195139D+01
      2   0.382038D+01 -0.526651D+01  0.391741D+01  0.172820D+00  0.323132D+01
      3   0.269911D+00 -0.119793D+01 -0.215755D+01 -0.250204D+01  0.382287D+00
               166           167           168           169           170 
      1  -0.332939D+00  0.106306D+01  0.427368D+00  0.102336D+01  0.254705D+01
      2  -0.107898D+01 -0.146062D+01  0.944431D-01 -0.273457D+01  0.823392D-01
      3   0.483223D+00  0.188256D+01  0.143128D+01  0.156206D+01  0.166158D+01
               171           172           173           174           175 
      1  -0.277656D+01  0.286944D+01  0.106201D+01  0.424918D+01  0.770875D+00
      2  -0.316285D+01  0.317358D+01  0.640916D+00  0.655609D+01  0.943625D+00
      3  -0.825383D+00 -0.277938D+01 -0.715084D+00 -0.355040D+01  0.152991D+00
               176           177           178           179           180 
      1   0.252033D+01  0.196198D+01  0.518882D+01  0.402431D+01  0.121830D+02
      2   0.270985D+01  0.367247D+01  0.527287D+01  0.159634D+00  0.196844D+02
      3  -0.181220D+01 -0.359032D+01 -0.347099D+01 -0.522022D+01 -0.489665D+01
               181           182           183           184           185 
      1  -0.106476D+01 -0.634403D+00 -0.166596D+01 -0.414522D+00 -0.262496D+01
      2   0.143682D+01  0.315517D+01 -0.541021D+00  0.239621D+01  0.425440D+01
      3   0.979678D+01  0.128177D+02 -0.230598D+01  0.965527D+01  0.263403D+02
               186           187           188           189           190 
      1  -0.366020D+01  0.277877D+00 -0.397961D+00  0.129721D+01 -0.563425D+01
      2  -0.251503D+01 -0.729741D+00 -0.342575D+01  0.228719D+01 -0.990399D+01
      3  -0.422274D+01 -0.156778D+01 -0.337311D+01  0.341139D+01 -0.404112D+01
               191           192           193           194           195 
      1   0.224029D+01  0.479500D+01  0.264076D+01 -0.224050D+01 -0.207520D+01
      2   0.458123D+01  0.951959D+01  0.387522D+01 -0.342051D+01 -0.209795D+01
      3  -0.290680D+01  0.789270D+00 -0.209684D+00  0.402957D+01  0.684350D+00
               196           197           198           199           200 
      1   0.485471D+01 -0.849445D+00 -0.376253D+01  0.316591D+00 -0.105744D+01
      2   0.816997D+01 -0.325890D+01 -0.743869D+01 -0.378689D+00  0.118324D+01
      3   0.781872D+00  0.356501D+01 -0.139936D+01 -0.369622D-01 -0.315122D+00
               201           202           203           204           205 
      1  -0.637695D+00 -0.205325D+01 -0.541716D+01 -0.173330D+01 -0.552754D+01
      2  -0.376878D+00  0.187848D+01  0.843997D+00  0.633684D+00 -0.319654D+01
      3  -0.103040D-01  0.336952D+01 -0.292374D+01  0.296585D+00 -0.147011D+01
               206           207           208           209           210 
      1   0.214820D+01 -0.897728D+00  0.891819D+00  0.679725D-01 -0.204430D+00
      2   0.115697D+00  0.481966D+00  0.222321D+01 -0.251293D+00  0.310350D+00
      3   0.619782D+00 -0.696884D+00  0.306357D+01  0.111986D+01 -0.280573D+00
               211           212           213           214           215 
      1  -0.256359D+00  0.810198D+00 -0.345154D+01 -0.182810D+01  0.274525D+00
      2  -0.207715D+00  0.306171D+01 -0.219874D+01 -0.413199D+01 -0.170305D+01
      3   0.562920D+01  0.133817D+02 -0.238867D+01 -0.186069D+01 -0.295037D+01
               216           217           218           219           220 
      1   0.486600D+00  0.990470D-01 -0.559835D+00  0.151247D+01 -0.126013D+01
      2   0.457181D+00 -0.162946D+01  0.104669D+01 -0.211165D+01  0.164228D+01
      3   0.174213D+01 -0.105759D+01  0.302865D+01 -0.200116D+01  0.149210D+01
               221           222           223           224           225 
      1   0.118650D+01 -0.256732D+01 -0.134992D+01 -0.298576D+01  0.122959D+02
      2  -0.380023D+01  0.455616D+01 -0.238015D+00  0.818505D+01 -0.237504D+02
      3  -0.526891D+01  0.409429D+01 -0.425549D+00  0.612477D+01 -0.847333D+01
               226           227           228           229           230 
      1  -0.227243D+01 -0.554142D+00 -0.213819D+01 -0.762749D+00 -0.714096D+00
      2   0.549556D+01  0.152034D+01  0.638716D+01  0.131668D+01  0.161585D+01
      3   0.491513D+01 -0.475995D+01  0.761509D+00 -0.915326D-01 -0.927818D+00
               231           232           233           234           235 
      1  -0.142684D+01 -0.135985D+01 -0.131327D+00 -0.408506D+00 -0.105194D+01
      2   0.162164D+01  0.333052D+01  0.203308D+01  0.121024D+01  0.393683D+01
      3  -0.104394D+01  0.484230D+00 -0.193640D+01 -0.109688D+01 -0.691238D+01
               236           237           238           239           240 
      1   0.313746D+01  0.283419D+01  0.187928D+01 -0.445890D+01 -0.424644D+01
      2  -0.277447D+01 -0.312166D+01 -0.154130D+01  0.572520D+01  0.506394D+01
      3   0.107851D+02  0.474317D+01  0.731714D+01 -0.174354D+02 -0.664865D+01
               241           242           243 
      1   0.569188D+00 -0.426187D+01 -0.424476D+01
      2  -0.243780D+01  0.743069D+01  0.571749D+01
      3   0.368922D+01 -0.963142D+01 -0.914329D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.613303D+01  0.609648D+01  0.701265D+01  0.419962D+01  0.184913D+02
      2   0.495556D+01 -0.184813D+02 -0.113575D+02 -0.157725D+02 -0.103867D+02
      3  -0.110886D+02  0.123848D+02  0.434483D+01  0.115729D+02 -0.810464D+01
      4   0.772883D+01  0.623112D+01 -0.124543D+02  0.770589D+01 -0.286880D+01
      5   0.204206D+02 -0.127214D+02 -0.247153D+02 -0.125419D+02 -0.319068D+01
      6  -0.846230D+01 -0.698738D+01  0.115782D+02 -0.768118D+01 -0.576320D+01
                 6             7             8             9            10 
      1  -0.907609D+01  0.402533D+01 -0.110679D+02 -0.168966D+02 -0.281597D+01
      2  -0.435046D+00 -0.859917D+01  0.149226D+01  0.857376D+01 -0.167160D+00
      3   0.951114D+01  0.457384D+01  0.957566D+01  0.832282D+01  0.298313D+01
      4   0.715521D+01 -0.143364D+02  0.759333D+01  0.371241D+01 -0.156139D+02
      5   0.164542D+01 -0.238818D+02  0.568388D+01  0.781028D+01 -0.103433D+02
      6  -0.391129D+01  0.113702D+02 -0.303253D+01  0.552655D+01  0.700042D+01
                11            12            13            14            15 
      1  -0.919838D+01 -0.152852D+01 -0.110446D+01 -0.240533D+02  0.821614D+01
      2   0.109841D+02  0.894053D+00  0.304989D+01  0.105387D+02 -0.143274D+01
      3  -0.178567D+01  0.634466D+00 -0.194542D+01  0.135146D+02 -0.678339D+01
      4  -0.135640D+02  0.113191D+02 -0.174699D+02 -0.184889D+02 -0.730269D+01
      5   0.105206D+02  0.133960D+02  0.120590D+02 -0.215119D+01  0.537815D+01
      6  -0.636380D+01 -0.219387D+01 -0.260607D+01  0.943365D+01 -0.126396D+01
                16            17            18            19            20 
      1  -0.141584D+01  0.133882D+02  0.147292D+02  0.325661D+02  0.640396D+01
      2  -0.509570D+01 -0.347739D+01 -0.991066D+01 -0.150618D+02 -0.842914D+01
      3   0.651154D+01 -0.991085D+01 -0.481856D+01 -0.175044D+02  0.202518D+01
      4   0.172198D+02 -0.127056D+02  0.145721D+01  0.876388D+01 -0.603481D+01
      5   0.203149D+02  0.153398D+01  0.881741D+01 -0.537426D+01 -0.192464D+01
      6  -0.280962D+01 -0.110034D+01 -0.761298D+01 -0.669555D+01 -0.800134D+00
                21            22            23            24            25 
      1   0.528444D+01  0.349663D+01  0.195647D+01 -0.335639D+01  0.178085D+02
      2   0.237247D+01 -0.499286D+01 -0.625805D+01  0.774888D+00  0.726357D+01
      3  -0.765691D+01  0.149622D+01  0.430158D+01  0.258151D+01 -0.250720D+02
      4  -0.432558D+01 -0.793183D+01 -0.255343D+01  0.467903D+01 -0.110846D+02
      5  -0.647078D+01 -0.476354D+01  0.122154D+01  0.407012D+01 -0.161149D+02
      6   0.149956D+00 -0.191979D+01 -0.386039D+01  0.280416D+01 -0.163853D+01
                26            27            28            29            30 
      1  -0.797408D+01  0.114917D+02 -0.108064D+03  0.107400D+02 -0.124979D+02
      2   0.376110D+01  0.132218D+02  0.448067D+02 -0.560458D+01  0.435810D+01
      3   0.421298D+01 -0.247135D+02  0.632578D+02 -0.513545D+01  0.813985D+01
      4   0.899447D+01  0.197877D+01  0.180973D+02 -0.909367D+01  0.133194D+01
      5   0.503578D+01 -0.145375D+02 -0.221898D+01 -0.871798D+00 -0.900603D+01
      6   0.347247D+01  0.944442D+00  0.718450D+01  0.232825D+01  0.132056D+01
                31            32            33            34            35 
      1   0.437739D+02 -0.682461D+01  0.175265D+01 -0.388648D+02 -0.436850D+00
      2  -0.208237D+02  0.217365D+01  0.407652D+00  0.114932D+02  0.288323D+01
      3  -0.229503D+02  0.465097D+01 -0.216031D+01  0.273716D+02 -0.244638D+01
      4  -0.151882D+02 -0.313750D+01  0.102288D+01  0.783477D+01 -0.301525D+01
      5   0.652700D+01  0.219476D+01  0.266974D+01 -0.658585D+01 -0.183006D+00
      6   0.134337D+01  0.862108D+01 -0.102173D+01 -0.144797D+00  0.282760D+01
                36            37            38            39            40 
      1  -0.285649D+02  0.158012D+03 -0.246248D+02  0.271935D+02 -0.203267D+02
      2  -0.540668D+00 -0.686143D+02  0.102145D+02 -0.934302D+01  0.583342D+01
      3   0.291056D+02 -0.893982D+02  0.144103D+02 -0.178505D+02  0.144933D+02
      4   0.406718D+01 -0.473325D+02  0.145250D+02 -0.556235D+01  0.159205D+02
      5  -0.123765D+02  0.212173D+02 -0.182574D+01  0.189680D+02  0.352775D+01
      6   0.354768D+01 -0.863815D+01 -0.778153D+00 -0.288062D+01 -0.110249D+01
                41            42            43            44            45 
      1   0.120526D+02 -0.680647D+01  0.377430D+02 -0.867274D+01  0.824490D+01
      2  -0.107557D+02  0.208729D+01 -0.166511D+02  0.680171D+01 -0.768815D+01
      3  -0.129690D+01  0.471918D+01 -0.210919D+02  0.187104D+01 -0.556758D+00
      4   0.116698D+02 -0.460023D+01 -0.658341D+01 -0.535520D+01 -0.541699D+01
      5  -0.638843D+01 -0.280176D+01  0.278215D+02 -0.551810D+01  0.625528D+01
      6   0.378631D+01  0.409420D+01 -0.816792D+01  0.661519D+01  0.571065D+00
                46            47            48            49            50 
      1  -0.144763D+03  0.366304D+02 -0.238722D+02  0.453002D+02 -0.239561D+02
      2   0.648885D+02 -0.165494D+02  0.136915D+02 -0.284845D+02  0.607359D+01
      3   0.798742D+02 -0.200810D+02  0.101807D+02 -0.168156D+02  0.178825D+02
      4   0.665093D+02 -0.327756D+02  0.147955D+02 -0.366431D+02 -0.737781D+01
      5  -0.379032D+02  0.108520D+02 -0.234542D+02  0.191466D+02 -0.201363D+01
      6   0.145542D+02 -0.570851D+01  0.239561D+01  0.784739D-01  0.343813D+01
                51            52            53            54            55 
      1   0.117335D+02 -0.461223D+02  0.126610D+02 -0.150926D+02  0.154541D+03
      2  -0.103123D+02  0.219502D+02 -0.405335D+01  0.338374D+01 -0.752898D+02
      3  -0.142125D+01  0.241721D+02 -0.860770D+01  0.117089D+02 -0.792508D+02
      4  -0.196578D+01  0.269342D+02 -0.433294D+01  0.681250D+01 -0.655994D+02
      5   0.551241D+01 -0.101930D+02  0.477376D+01 -0.121186D+02  0.330772D+02
      6  -0.606416D+01  0.540196D+00  0.136983D+01  0.468388D+01 -0.735345D+01
                56            57            58            59            60 
      1  -0.401511D+02  0.242190D+02 -0.849421D+02  0.304423D+02 -0.122533D+02
      2   0.155551D+02 -0.152835D+02  0.339788D+02 -0.354986D+01  0.740570D+01
      3   0.245960D+02 -0.893545D+01  0.509633D+02 -0.268924D+02  0.484759D+01
      4   0.413510D+02 -0.114496D+02  0.682428D+02 -0.507383D+02  0.149504D+02
      5  -0.953073D+01  0.298650D+02 -0.209582D+02  0.124752D+02 -0.169820D+02
      6   0.368770D+01 -0.571249D+01  0.842356D+01 -0.555801D+01  0.115711D+02
                61            62            63            64            65 
      1   0.424972D+02 -0.682606D+01  0.239920D+02 -0.241143D+02  0.281318D+02
      2  -0.247272D+02  0.492991D+01 -0.188030D+02  0.707705D+01 -0.248800D+02
      3  -0.177701D+02  0.189615D+01 -0.518903D+01  0.170372D+02 -0.325181D+01
      4  -0.187076D+02  0.115969D+02 -0.208652D+02  0.228743D+02  0.621188D+01
      5   0.463426D+02 -0.196918D+02  0.297854D+02  0.139651D+02 -0.147330D+02
      6  -0.906613D+01  0.109295D+02 -0.790393D+01 -0.938664D+01  0.139583D+02
                66            67            68            69            70 
      1   0.102181D+02  0.206560D+02  0.284365D+02 -0.176629D+02  0.168015D+02
      2   0.535686D+01 -0.168781D+02 -0.252442D+02  0.112261D+02  0.487691D+01
      3  -0.155749D+02 -0.377786D+01 -0.319228D+01  0.643680D+01 -0.216784D+02
      4  -0.194441D+02  0.827996D+01  0.192417D+01  0.982865D+01 -0.250007D+02
      5  -0.176396D+02 -0.167644D+02  0.766931D+01 -0.103416D+02 -0.232763D+02
      6   0.621827D+01  0.120369D+02  0.374494D+00  0.330939D+01  0.834140D+01
                71            72            73            74            75 
      1  -0.200933D+02 -0.217693D+02  0.164289D-01 -0.123927D+02 -0.202806D+02
      2   0.104252D+02  0.229329D+02 -0.527170D+00  0.996185D+01  0.120939D+02
      3   0.966819D+01 -0.116352D+01  0.510741D+00  0.243085D+01  0.818669D+01
      4   0.131626D+02  0.223104D+01 -0.107828D+02  0.520827D+01 -0.135864D+01
      5  -0.465298D+01 -0.276842D+02 -0.101683D+02  0.305917D+01 -0.217127D+02
      6   0.299573D+01  0.687779D+01 -0.398983D+01  0.624326D+01 -0.710392D+01
                76            77            78            79            80 
      1  -0.155760D+02  0.167368D+02  0.662257D+01 -0.224473D+02  0.214319D+01
      2   0.160225D+02 -0.184012D+01 -0.502149D+01  0.132934D+02 -0.140473D+01
      3  -0.446522D+00 -0.148967D+02 -0.160108D+01  0.915393D+01 -0.738461D+00
      4   0.134400D+02  0.346399D+02  0.453275D+01  0.363201D+01  0.893833D+01
      5   0.951838D+01 -0.171858D+01 -0.112755D+02 -0.345026D+02 -0.144549D+02
      6   0.360679D+01 -0.615052D+00 -0.415189D+01 -0.126864D+02 -0.567905D+01
                81            82            83            84            85 
      1  -0.221478D+02 -0.179111D+02 -0.253094D-02  0.143771D+02  0.739443D+00
      2   0.147941D+02  0.160718D+02  0.587177D+01 -0.136081D+02  0.325823D+01
      3   0.735364D+01  0.183933D+01 -0.586924D+01 -0.769059D+00 -0.399767D+01
      4  -0.195247D+02  0.134119D+01  0.979382D+01  0.252777D+01  0.906949D+01
      5   0.959647D+01  0.627610D+01 -0.288461D+01  0.203357D+01 -0.559887D+01
      6   0.797268D+01  0.953758D+01 -0.609137D+01  0.334257D+01 -0.386200D+01
                86            87            88            89            90 
      1   0.944106D+01  0.501231D+01  0.167177D+02  0.100689D+02  0.147037D+02
      2  -0.456166D+01 -0.876340D+01 -0.161209D+02 -0.164477D+02 -0.165393D+02
      3  -0.487940D+01  0.375109D+01 -0.596789D+00  0.637880D+01  0.183555D+01
      4  -0.283105D+01 -0.125928D+02  0.673736D+00 -0.179534D+02 -0.257687D+01
      5  -0.644616D+01 -0.401275D+01  0.358222D+01 -0.517127D+01 -0.524510D+00
      6  -0.165005D+02 -0.142752D+02  0.352251D+01 -0.192009D+02 -0.276123D+01
                91            92            93            94            95 
      1  -0.557751D+02 -0.280069D+02 -0.143230D+02 -0.122594D+02  0.191998D+02
      2   0.235900D+02  0.215398D+02  0.108121D+02  0.132159D+02 -0.542272D+01
      3   0.321852D+02  0.646710D+01  0.351091D+01 -0.956513D+00 -0.137770D+02
      4  -0.252194D+02  0.134375D+02 -0.469355D+01  0.198038D+02  0.137560D+02
      5  -0.123403D+02 -0.169020D+01  0.117920D+02 -0.228867D+01 -0.797648D+01
      6  -0.613805D+01  0.178822D+01  0.727113D+01 -0.240435D+00 -0.807883D+01
                96            97            98            99           100 
      1   0.263171D+01 -0.210902D+02  0.669171D+00  0.207571D+02  0.513556D+02
      2  -0.705594D+01  0.116133D+02 -0.950188D+01 -0.862432D+01 -0.265784D+02
      3   0.442423D+01  0.947692D+01  0.883271D+01 -0.121327D+02 -0.247772D+02
      4  -0.638175D+01 -0.650344D+01 -0.623966D+01 -0.126683D+02  0.227592D+02
      5  -0.976196D+01  0.541179D+01 -0.152370D+02  0.250078D+02  0.233469D+02
      6  -0.399427D+01  0.306722D+01 -0.105212D+02  0.127556D+02  0.567591D+01
               101           102           103           104           105 
      1   0.911396D+01  0.194300D+02  0.351662D+01  0.519372D+01 -0.317063D+00
      2  -0.283975D+01 -0.107567D+02  0.785866D-01 -0.160805D+01  0.163538D+01
      3  -0.627420D+01 -0.867328D+01 -0.359521D+01 -0.358567D+01 -0.131831D+01
      4   0.125582D+02  0.778102D+01  0.109544D+02  0.399414D+01  0.571722D+01
      5   0.363992D+01  0.183735D+02  0.171623D+01  0.593897D+01  0.316386D+01
      6   0.178978D+01  0.520471D+01  0.231873D+01  0.254420D+01  0.380310D+01
               106           107           108           109           110 
      1   0.298365D+02  0.279320D+01  0.170652D+02  0.224867D+02  0.840813D+01
      2  -0.172266D+02  0.633504D+00 -0.127738D+02 -0.127846D+02 -0.386405D+01
      3  -0.126099D+02 -0.342670D+01 -0.429138D+01 -0.970212D+01 -0.454408D+01
      4   0.131835D+02  0.101189D+02  0.116707D+02  0.177719D+02  0.103357D+02
      5   0.257860D+02  0.723453D+01  0.209267D+02 -0.174262D+02 -0.710657D+01
      6   0.750330D+01  0.466822D+01  0.630478D+01 -0.752786D+01 -0.436477D+01
               111           112           113           114           115 
      1  -0.878838D+01  0.648797D+01 -0.600872D+00 -0.989340D+00 -0.149704D+02
      2   0.599889D+01 -0.200751D+01  0.340987D+01 -0.938243D+00  0.113089D+02
      3   0.278949D+01 -0.448046D+01 -0.280900D+01  0.192758D+01  0.366153D+01
      4  -0.922596D+01  0.131909D+02  0.108172D+02 -0.115151D+02 -0.183079D+02
      5   0.179063D+02 -0.790145D+01 -0.102182D+02  0.947591D+01  0.303204D+02
      6   0.634092D+01 -0.627556D+01 -0.732256D+01  0.860687D+01  0.130191D+02
               116           117           118           119           120 
      1  -0.224853D+01  0.848305D+01 -0.988608D+00  0.471773D-01 -0.966716D+00
      2  -0.286213D+00 -0.135110D+02 -0.572215D+01  0.104259D+01 -0.424556D+01
      3   0.253474D+01  0.502796D+01  0.671076D+01 -0.108976D+01  0.521228D+01
      4  -0.177416D+02  0.188544D+02 -0.675766D+00  0.384905D+01  0.504209D+00
      5   0.145709D+02 -0.360806D+02  0.817439D+01 -0.890651D+00  0.113030D+02
      6   0.111681D+02 -0.173646D+02  0.227498D+00  0.116489D+01  0.185537D+00
               121           122           123           124           125 
      1   0.507561D+01 -0.449491D+01  0.257980D+01 -0.809879D+01  0.916505D+00
      2  -0.125175D+01 -0.555388D+00  0.143315D+01 -0.542275D+01  0.308447D+01
      3  -0.382386D+01  0.505030D+01 -0.401295D+01  0.135215D+02 -0.400098D+01
      4   0.387639D+01  0.244735D+00  0.313046D+01  0.134555D+01  0.336690D+01
      5  -0.121089D+01  0.321883D+01 -0.199558D+01  0.157845D+02 -0.282488D+01
      6   0.176435D+01 -0.143263D+01  0.676544D+01  0.145413D+01  0.459235D+01
               126           127           128           129           130 
      1  -0.237762D+02 -0.374647D+01  0.699335D+01 -0.553528D+01  0.462445D+01
      2  -0.187528D+02  0.338768D+01 -0.908574D+01  0.488861D+01 -0.557698D+01
      3   0.425290D+02  0.358798D+00  0.209239D+01  0.646672D+00  0.952522D+00
      4  -0.646987D+00 -0.524988D+01  0.583984D+00 -0.257457D+01  0.167174D+01
      5   0.229828D+02 -0.615525D+00  0.544014D+00 -0.598446D+00  0.467728D+00
      6   0.711581D+00 -0.610739D+01  0.376601D+01 -0.547158D+01  0.265693D+01
               131           132           133           134           135 
      1  -0.131654D+02  0.532207D+01 -0.868475D+01  0.899468D+01 -0.137311D+02
      2   0.155784D+02 -0.553918D+01  0.591763D+01 -0.100804D+02  0.929046D+01
      3  -0.241297D+01  0.217109D+00  0.276713D+01  0.108576D+01  0.444060D+01
      4   0.396085D+00  0.758100D+00 -0.491600D+01 -0.427659D+00 -0.784216D+00
      5  -0.927979D+00  0.168326D+01 -0.232687D+00  0.269529D+01 -0.423834D+01
      6  -0.528782D+01  0.865279D+01 -0.470742D+01  0.114077D+02 -0.132503D+02
               136           137           138           139           140 
      1  -0.123833D+01  0.400098D+01  0.964944D+00  0.215607D+01 -0.306392D+02
      2   0.292067D+01 -0.227504D+01  0.155719D+00  0.384826D+00  0.409245D+02
      3  -0.168234D+01 -0.172595D+01 -0.112066D+01 -0.254090D+01 -0.102853D+02
      4   0.525192D+01  0.788621D+01  0.362008D+01  0.768856D+01  0.207488D+02
      5   0.139062D+01  0.317683D+01  0.358191D+01  0.255108D+01  0.915741D+01
      6   0.397551D+01  0.850556D+00 -0.353100D+00  0.186085D+01  0.266081D+02
               141           142           143           144           145 
      1  -0.147967D+02 -0.207777D-01 -0.204648D+02 -0.181125D+02 -0.841804D+01
      2   0.165873D+02  0.209190D+01  0.214714D+02  0.128055D+02  0.733333D+01
      3  -0.179055D+01 -0.207113D+01 -0.100658D+01  0.530700D+01  0.108471D+01
      4   0.985703D+01  0.519516D+01  0.141214D+02  0.911507D+01  0.269777D+01
      5   0.623224D+01  0.328169D+01  0.961215D+01  0.878355D+01  0.374270D+01
      6   0.188370D+02  0.849313D+00  0.248667D+02  0.218305D+02  0.646969D+01
               146           147           148           149           150 
      1  -0.104338D+02 -0.599472D+01 -0.829264D+01 -0.215273D+02 -0.648554D+01
      2   0.117127D+02  0.183380D+01  0.103773D+02  0.249440D+02  0.186445D+01
      3  -0.127885D+01  0.416092D+01 -0.208463D+01 -0.341668D+01  0.462109D+01
      4   0.428734D+00  0.126378D+01  0.219212D+01 -0.618050D+01 -0.234500D+01
      5   0.484632D+01  0.276591D+01  0.629707D+01  0.279199D+01 -0.210363D+01
      6   0.931125D+01  0.358599D+01  0.685231D+01  0.177877D+02  0.900387D+01
               151           152           153           154           155 
      1  -0.170737D+01 -0.170652D+01 -0.287416D+01 -0.705571D+01  0.287230D+01
      2  -0.245192D+00 -0.162510D+01  0.166314D+01 -0.162502D+01  0.267654D+01
      3   0.195256D+01  0.333162D+01  0.121103D+01  0.868072D+01 -0.554884D+01
      4   0.120602D+01  0.177760D+00 -0.722842D+00  0.277788D+01 -0.276272D+01
      5   0.282175D+01 -0.884479D+00  0.285746D+00  0.213720D+01 -0.913752D+00
      6   0.162119D+01  0.547655D+01  0.262671D+01 -0.238940D+01  0.529621D+01
               156           157           158           159           160 
      1  -0.847740D+01  0.417596D+01 -0.928188D+01  0.980717D+01 -0.468187D+01
      2  -0.187086D+01  0.152747D+01  0.148094D+01  0.427221D+01 -0.154131D+01
      3   0.103483D+02 -0.570344D+01  0.780094D+01 -0.140794D+02  0.622318D+01
      4   0.310446D+01 -0.309689D+01  0.748867D+01 -0.422295D+01  0.304495D+01
      5   0.369002D+01 -0.191162D+01  0.702420D+00  0.351245D+01  0.491236D+01
      6  -0.286662D+01  0.443034D+01 -0.922236D+01  0.590369D+01 -0.320114D+01
               161           162           163           164           165 
      1   0.625306D+01 -0.104066D+02  0.167335D+02 -0.186816D+01 -0.384147D+01
      2   0.256315D+01 -0.674643D+01 -0.175950D+02  0.328245D+01  0.149445D+02
      3  -0.881622D+01  0.171530D+02  0.861553D+00 -0.141429D+01 -0.111030D+02
      4  -0.316614D+01  0.389778D+01 -0.134143D+02  0.971163D+01  0.986967D+01
      5   0.112409D+00 -0.225172D+01 -0.329345D+02  0.104443D+02  0.301429D+02
      6   0.602928D+01 -0.485224D+01  0.849060D+01 -0.710581D+01 -0.965830D+01
               166           167           168           169           170 
      1  -0.126356D+01 -0.166822D+01 -0.117649D+01 -0.357155D+01 -0.924219D+00
      2   0.189654D+01  0.162721D-01 -0.414404D+00  0.128308D+02 -0.207958D+01
      3  -0.632980D+00  0.165195D+01  0.159089D+01 -0.925927D+01  0.300380D+01
      4   0.776491D+01 -0.615606D+01 -0.744462D+01  0.826097D+01 -0.633409D+01
      5   0.668470D+01 -0.785461D+01 -0.614681D+01  0.250951D+02 -0.868898D+01
      6  -0.531899D+01  0.645390D+01  0.836091D+01 -0.789688D+01  0.759478D+01
               171           172           173           174           175 
      1  -0.258458D+01  0.164277D+02 -0.230418D+01  0.103337D+02  0.441000D+01
      2  -0.170296D+02 -0.122306D+02  0.119443D+01 -0.111079D+02 -0.318914D+01
      3   0.196142D+02 -0.419701D+01  0.110976D+01  0.774216D+00 -0.122086D+01
      4  -0.875283D+01 -0.603901D+01  0.315472D+01 -0.160612D+01  0.103599D+01
      5  -0.301483D+02  0.152807D+02  0.996150D+00  0.194109D+02  0.581486D+01
      6   0.109653D+02 -0.342455D+01  0.153451D+00 -0.558160D+01 -0.263481D+00
               176           177           178           179           180 
      1  -0.176377D+01  0.467471D+01  0.126252D+02  0.249481D+01  0.834218D+01
      2  -0.507771D+00 -0.721635D+01 -0.140757D+02 -0.472103D+01 -0.242587D+02
      3   0.227154D+01  0.254165D+01  0.145046D+01  0.222622D+01  0.159165D+02
      4   0.385443D+01  0.477552D+01 -0.455133D+01  0.833506D+01 -0.480997D+01
      5   0.533660D+01  0.820366D+01  0.262112D+02 -0.911140D+00  0.466978D+02
      6  -0.141189D+00  0.201524D+01 -0.811432D+01  0.530253D+01 -0.165927D+02
               181           182           183           184           185 
      1  -0.966188D+01 -0.204742D+02  0.208972D+01 -0.144217D+02 -0.345624D+02
      2   0.990464D+01  0.221050D+02 -0.241808D+01  0.114079D+02  0.468945D+02
      3  -0.242760D+00 -0.163079D+01  0.328364D+00  0.301379D+01 -0.123321D+02
      4   0.412221D+00 -0.588948D+01  0.311410D+01  0.445424D+01 -0.268431D+02
      5  -0.316455D+01  0.138063D+01 -0.715159D+00 -0.706928D+00  0.220621D+01
      6  -0.139602D+01 -0.621797D+01  0.426310D+01 -0.276070D+01 -0.121451D+02
               186           187           188           189           190 
      1   0.673915D+01 -0.367232D+00  0.689999D+01 -0.431571D+01  0.611960D+02
      2  -0.611383D+01 -0.126430D+01 -0.484817D+01  0.350130D+01 -0.239648D+02
      3  -0.625318D+00  0.163153D+01 -0.205182D+01  0.814415D+00 -0.372312D+02
      4   0.344452D+01  0.242427D+01  0.131413D+01 -0.373394D+01 -0.402943D+02
      5  -0.386943D+01  0.261966D+01 -0.408225D+01  0.426023D+01 -0.143402D+02
      6   0.830753D+01  0.109283D+01  0.854915D+01 -0.443943D+01  0.713307D+01
               191           192           193           194           195 
      1  -0.198001D+02 -0.146329D+02 -0.120312D+02  0.595150D+01  0.389232D+01
      2   0.417764D+01  0.487613D+01  0.221184D+00  0.469360D+01  0.171593D+00
      3   0.156224D+02  0.975681D+01  0.118101D+02 -0.106451D+02 -0.406391D+01
      4   0.231356D+02  0.102768D+02  0.199712D+02 -0.169269D+02 -0.734306D+01
      5   0.561299D+01  0.146496D+02  0.486821D+01 -0.547754D+01 -0.234843D+01
      6  -0.388971D+01 -0.691073D+01 -0.381798D+01  0.238773D+01  0.312809D+01
               196           197           198           199           200 
      1  -0.256125D+02  0.833056D+01  0.131882D+02 -0.121888D+01  0.141889D+01
      2   0.862565D+01  0.122539D+00 -0.769065D+01  0.125528D+00 -0.515016D-01
      3   0.169868D+02 -0.845309D+01 -0.549752D+01  0.109335D+01 -0.136739D+01
      4   0.205514D+02 -0.160016D+02 -0.990635D+01  0.323629D+01  0.514763D+01
      5   0.181110D+02 -0.639137D+01 -0.125471D+02 -0.113427D+01 -0.196732D+01
      6  -0.850239D+01  0.451297D+01  0.698612D+01 -0.243295D+01 -0.804172D+00
               201           202           203           204           205 
      1  -0.127916D+01  0.170432D+01 -0.132308D+02  0.572774D+01 -0.110671D+01
      2   0.507073D+00 -0.523415D+00  0.135486D+02 -0.242216D+01  0.253049D+01
      3   0.772083D+00 -0.118090D+01 -0.317894D+00 -0.330558D+01 -0.142378D+01
      4  -0.119849D+01  0.533647D+01  0.900144D+01 -0.298872D+01 -0.136778D+01
      5   0.134764D+01 -0.245536D+01 -0.379674D+01  0.245206D+01  0.164796D+01
      6   0.568682D+00 -0.618457D+00 -0.110798D+02  0.646588D+01  0.215312D+01
               206           207           208           209           210 
      1   0.458210D+01 -0.156474D+01 -0.698831D+00 -0.245068D+01  0.662831D+00
      2  -0.236913D+01  0.109633D+01  0.270670D+01  0.167817D+01 -0.318634D+00
      3  -0.221297D+01  0.468410D+00 -0.200787D+01  0.772512D+00 -0.344197D+00
      4  -0.153387D+01  0.451735D+00 -0.204223D+01  0.446468D+01 -0.937868D+00
      5   0.165641D+01 -0.241124D+00  0.976016D+00 -0.423926D+00  0.684718D+00
      6   0.487218D+01 -0.365275D+01 -0.709700D+00  0.930092D+00  0.705352D-01
               211           212           213           214           215 
      1  -0.474269D+01 -0.203765D+02  0.310431D+01  0.230126D+01  0.444712D+01
      2   0.230089D+01  0.263194D+02 -0.294247D+01 -0.246007D+00 -0.464746D+01
      3   0.244181D+01 -0.594297D+01 -0.161848D+00 -0.205525D+01  0.200346D+00
      4   0.310474D+01 -0.194086D+02  0.288493D+01 -0.150938D+01  0.479126D+01
      5  -0.463714D+00  0.225029D+01 -0.260316D+01 -0.872087D+00 -0.214717D+01
      6   0.470373D+00 -0.164702D+01  0.469894D+01  0.157827D+01  0.377768D+01
               216           217           218           219           220 
      1  -0.400307D+01  0.514075D+01  0.684712D+01 -0.668161D+01  0.499866D+01
      2   0.336107D+01 -0.371788D+01 -0.512525D+01  0.235854D+01 -0.262631D+01
      3   0.642001D+00 -0.142287D+01 -0.172186D+01  0.432307D+01 -0.237235D+01
      4  -0.249826D+01  0.299554D+01 -0.278802D+01 -0.125434D+01  0.193227D+01
      5   0.150235D+01 -0.369303D+01  0.310303D+00 -0.382383D+00 -0.350843D+00
      6  -0.228217D+01 -0.265118D+01  0.108482D+01 -0.257372D+01 -0.104468D+01
               221           222           223           224           225 
      1  -0.834381D+01  0.510927D+01 -0.839242D+01  0.471803D+01 -0.172085D+02
      2   0.642182D+01 -0.407434D+01  0.414493D+01 -0.281898D+01 -0.376156D+01
      3   0.192198D+01 -0.103493D+01  0.424749D+01 -0.189904D+01  0.209701D+02
      4   0.779566D+01 -0.698497D+01 -0.909384D+01 -0.149466D+02  0.133853D+02
      5  -0.752060D+01  0.860840D+01  0.826440D+01  0.154838D+02 -0.438166D+02
      6  -0.603065D+01  0.965962D+01  0.272038D+01  0.130285D+02 -0.235956D+02
               226           227           228           229           230 
      1   0.865022D+02  0.202491D+02  0.611824D+01  0.930776D+01  0.944766D+01
      2  -0.392640D+02 -0.556873D+01 -0.280451D+01 -0.118778D+00 -0.122771D+01
      3  -0.472382D+02 -0.146803D+02 -0.331372D+01 -0.918898D+01 -0.821995D+01
      4   0.428334D+02  0.223385D+02  0.330336D+01  0.167350D+02  0.104411D+02
      5   0.323051D+01  0.102978D+01  0.119782D+02  0.993915D+00  0.225916D+01
      6   0.295242D+01  0.538763D+00  0.407384D+01  0.235819D+00  0.139823D+01
               231           232           233           234           235 
      1   0.444646D+00  0.116089D+02  0.254151D+01  0.795500D+01 -0.661382D+01
      2   0.106997D+01 -0.552967D+01  0.440574D+00 -0.463760D+01  0.636113D+01
      3  -0.151462D+01 -0.607925D+01 -0.298208D+01 -0.331740D+01  0.252684D+00
      4   0.277037D+01  0.681383D+01  0.520886D+01  0.689200D+01 -0.198224D+00
      5   0.252665D+01  0.125263D+02  0.530809D+01  0.247918D+01  0.497576D+01
      6   0.228040D+01  0.420827D+01  0.325870D+01  0.733456D+00  0.410158D+01
               236           237           238           239           240 
      1   0.152058D+02  0.953521D+01  0.146112D+02 -0.220470D+02 -0.845895D+01
      2  -0.149680D+02 -0.639764D+01 -0.985575D+01  0.272728D+02  0.976457D+01
      3  -0.237737D+00 -0.313757D+01 -0.475548D+01 -0.522574D+01 -0.130562D+01
      4  -0.866553D+01  0.287558D+00  0.147880D+01  0.203280D+02  0.673518D+01
      5  -0.191479D+01 -0.533911D+01 -0.225611D+01  0.825813D+01  0.910817D+01
      6  -0.377978D+01 -0.526305D+01 -0.201240D+01  0.886535D+01  0.826968D+01
               241           242           243 
      1   0.108199D+02 -0.949625D+01 -0.138073D+02
      2  -0.556495D+01  0.117430D+02  0.874039D+01
      3  -0.525493D+01 -0.224674D+01  0.506696D+01
      4   0.364224D+01  0.120338D+02  0.838141D+01
      5  -0.167614D+01  0.107274D+02  0.792887D+01
      6  -0.251679D+01  0.109979D+02  0.828349D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x         -0.136998D+01     -0.348215D+01     -0.116152D+02
   y          0.776975D+00      0.197487D+01      0.658747D+01
   z         -0.437281D+00     -0.111146D+01     -0.370743D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.156905D+03      0.232509D+02      0.258702D+02
   yx        -0.462895D+01     -0.685940D+00     -0.763211D+00
   yy         0.114848D+03      0.170188D+02      0.189360D+02
   zx         0.596254D+01      0.883557D+00      0.983090D+00
   zy        -0.288982D+01     -0.428228D+00     -0.476467D+00
   zz         0.971737D+02      0.143997D+02      0.160218D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.128052D+03      0.189753D+02      0.211129D+02
   aniso      0.576566D+02      0.854382D+01      0.950628D+01
   xx         0.163520D+03      0.242312D+02      0.269608D+02
   yx        -0.641094D+01     -0.950003D+00     -0.105702D+01
   yy         0.118780D+03      0.176013D+02      0.195841D+02
   zx         0.655458D+01      0.971288D+00      0.108070D+01
   zy        -0.298621D+01     -0.442510D+00     -0.492359D+00
   zz         0.101855D+03      0.150934D+02      0.167937D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.25828751         -1.60403783          2.31617098
     6         -1.72098024          0.55428703          3.44641798
     6          0.26591024          1.68261315          1.52388986
     6          1.43187682         -0.02015056         -0.36939875
     6          1.13284566          0.11599839         -2.87029308
     6          2.28446542         -1.62000062         -4.72581015
     8          1.89301693         -1.31764368         -6.97168727
     6         -0.69457599         -0.15382937          6.02980068
     6         -3.14392032          3.11696354          3.24241318
     6         -1.68826356          3.71295013          0.78045115
     6          3.93975388         -3.76686357         -3.80415890
     1         -2.62719622          4.39587902          4.77417625
     1         -5.19824159          3.01839374          3.12474761
     1          1.77701792          2.54479182          2.64517050
     1         -2.76358812          3.18124153         -0.89227968
     1         -0.98924335          5.63085893          0.52448708
     1         -2.12793452         -3.32245080          2.14516953
     1         -3.97308384         -1.13885836          0.43952474
     1         -4.87627538         -2.02696389          3.52651795
     1          0.38898263          1.39678099          6.85383386
     1          0.54102174         -1.80609607          5.91376835
     1         -2.23151403         -0.61661695          7.33026176
     1          2.61443634         -1.50818162          0.40862760
     1         -0.02314221          1.58102255         -3.71462694
     1          5.56453707         -3.04397450         -2.75734295
     1          4.59671110         -4.83960913         -5.42816625
     1          2.89043963         -5.01265132         -2.53726585

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163455D+01      0.415461D+01      0.138583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.106560D+03      0.157905D+02      0.175694D+02
   yx        -0.120329D+02     -0.178309D+01     -0.198395D+01
   yy         0.112143D+03      0.166178D+02      0.184898D+02
   zx        -0.145664D+02     -0.215852D+01     -0.240168D+01
   zy         0.922995D+01      0.136774D+01      0.152181D+01
   zz         0.150225D+03      0.222610D+02      0.247687D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.128052D+03      0.189753D+02      0.211129D+02
   aniso      0.576566D+02      0.854382D+01      0.950628D+01
   xx         0.110661D+03      0.163982D+02      0.182455D+02
   yx        -0.113025D+02     -0.167486D+01     -0.186353D+01
   yy         0.115690D+03      0.171434D+02      0.190747D+02
   zx        -0.149173D+02     -0.221051D+01     -0.245952D+01
   zy         0.935764D+01      0.138666D+01      0.154287D+01
   zz         0.157805D+03      0.233843D+02      0.260185D+02

 ----------------------------------------------------------------------
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 0320\\\@


     ON THE SURVIVAL OF THE FITTEST -
 "STRONG REPRESENTATIVES FROM EACH PAST ERA THRIVE TODAY,
 SUCH AS PROGRAMMING IN THE THIRTY YEAR OLD LANGUAGE KNOWN
 AS FORTRAN, AND EVEN IN THE ANCIENT SCRIPT KNOWN AS DIRECT
 MACHINE CODE. SOME PEOPLE MIGHT LOOK ON SUCH RELICS AS LIVING
 FOSSILS; OTHERS WOULD POINT OUT THAT EVEN A VERY OLD SPECIES
 MIGHT STILL BE FILLING A PARTICULAR ECOLOGICAL NICHE."
     -- ALAN KAY, SCI.AM. SEPTEMBER 1984
 Job cpu time:       0 days  9 hours 53 minutes 18.4 seconds.
 Elapsed time:       0 days  1 hours 14 minutes 51.9 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 12:22:31 2021.
